Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Rotenone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.79 |
| ▸ | MAPT | P10636 | 8/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.79 |
| ▸ | LMNA | P02545 | 4/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.79 |
| ▸ | TP53 | P04637 | 4/20 | 0.79 |
| ▸ | USP2 | O75604 | 4/20 | 0.79 |
| ▸ | TSHR | P16473 | 3/20 | 0.79 |
| ▸ | MT-ND4 | P03905 | 3/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.79 |
| ▸ | NPC1 | O15118 | 2/20 | 0.79 |
| ▸ | RAB9A | P51151 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | HPGD | P15428 | 2/20 | 0.79 |
| ▸ | GMNN | O75496 | 1/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.79 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Rotenone SCHEMBL43319 | 0.98 | CYP3A4 (0.83) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL19019920 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL29388856 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL29351552 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL13926662 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL13845713 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL42253 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL9815546 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL20152380 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL5490007 | 0.88 | CYP3A4 (0.98) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11092594-B2 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. (US) | 2021-08-17 | — | — | US | disclosed |
| EP-3564674-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2019-11-06 | — | — | EP | disclosed |
| EP-3276349-B1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MED SYST INC (US) | 2019-08-07 | — | — | EP | disclosed |
| US-20180120306-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MED SYST INC (US) | 2018-05-03 | — | — | US | disclosed |
| EP-3276349-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2018-01-31 | — | — | EP | disclosed |
| EP-3029461-B1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MED SYST INC (US) | 2017-12-20 | — | — | EP | disclosed |
| US-9719986-B2 | Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| EP-3029461-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2016-06-08 | — | — | EP | disclosed |
| EP-2078197-B1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MED SYST INC (US) | 2016-03-23 | — | — | EP | disclosed |
| US-20140323336-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MEDICAL SYSTEMS, INC. (US) | 2014-10-30 | — | — | US | disclosed |
| EP-2444806-A2 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | Ventana Medical Systems, Inc. (US) | 2012-04-25 | — | — | EP | disclosed |
| EP-2444807-A2 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2012-04-25 | — | — | EP | disclosed |
| EP-2442107-A2 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | Ventana Medical Systems, Inc. (US) | 2012-04-18 | — | — | EP | disclosed |
| US-20100297725-A1 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. | 2010-11-25 | — | — | US | disclosed |
| US-20100184087-A1 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. | 2010-07-22 | — | — | US | disclosed |
| US-7695929-B2 | Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits | VENTANA MEDICAL SYSTEMS, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| EP-2078197-A2 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2009-07-15 | — | — | EP | disclosed |
| US-20080268462-A1 | Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits | VENTANA MEDICAL SYSTEMS, INC. | 2008-10-30 | — | — | US | disclosed |
| WO-2008063378-A9 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MED SYST INC (US) | 2008-07-31 | — | — | WO | disclosed |
| WO-2008063378-A2 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MEDICAL SYSTEMS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080268462-A1 | Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits | HRH4, CRBN, NCDN | CYP3A4 71/4885MAPT 3454/4885SMN1; SMN2 4773/4885 |
| US-20180120306-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | CRBN, AHR, RORB | CYP3A4 33/4885MAPT 2927/4885SMN1; SMN2 4647/4885 |
| US-20100297725-A1 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | CRBN, GABBR1, SHBG | CYP3A4 24/4885MAPT 2915/4885SMN1; SMN2 4733/4885 |
| US-11092594-B2 | Haptens, hapten conjugates, compositions thereof and method for their preparation and use | CRBN, AHR, RORB | CYP3A4 33/4885MAPT 2927/4885SMN1; SMN2 4647/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.