Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11243586 | 0.72 | TSHR (0.39) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| Acetic Acid SCHEMBL11023781 | 0.71 | LMNA (0.45) | TSHRSMN1; SMN2 | |
| Acetic Acid SCHEMBL3036023 | 0.71 | ALDH1A1 (0.46) | TSHRMEN1KMT2ASMN1; SMN2CA2 | |
| 1,2-Dichlorobenzene SCHEMBL29087570 | 0.70 | TSHR (0.53) | TSHRCYP3A4SMN1; SMN2CA2CA4 | |
| Acetic Acid SCHEMBL270931 | 0.69 | RAB9A (0.39) | MEN1KMT2ASMN1; SMN2 | |
| Acetone SCHEMBL27803280 | 0.69 | TP53 (0.70) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| SCHEMBL29655535 | 0.67 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A | |
| Acetic Acid SCHEMBL27374496 | 0.67 | TP53 (0.67) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| SCHEMBL313211 | 0.67 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A | |
| SCHEMBL8478583 | 0.67 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10562878-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARAMCEUTICALS INC. (US) | 2020-02-18 | — | — | US | disclosed |
| US-9868718-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARMACEUTICALS INC. (US) | 2018-01-16 | — | — | US | disclosed |
| EP-1976513-B1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC (US) | 2016-08-24 | — | — | EP | disclosed |
| US-20150126511-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC. | 2015-05-07 | — | — | US | disclosed |
| US-8877975-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-04 | — | — | US | disclosed |
| EP-2057154-B1 | PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS | SYNGENTA LTD (GB) | 2012-11-14 | — | — | EP | disclosed |
| US-8133847-B2 | Pyrido[2,3-B]pyrazine derivatives useful as herbicidal compounds | SYNGENTA LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |
| US-20100190861-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC. | 2010-07-29 | — | — | US | disclosed |
| US-20090305892-A1 | PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2009-12-10 | — | — | US | disclosed |
| EP-2057154-A1 | PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS | Syngenta Limited (GB) | 2009-05-13 | — | — | EP | disclosed |
| EP-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2008009908-A1 | PYRIDO [2, 3-B] PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |
| US-20070203111-A1 | Cycloalkylamines as monoamine reuptake inhibitors | SEPRACOR INC. (US) | 2007-08-30 | — | — | US | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | 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 (5 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-20150126511-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SLC18A2, SLC6A2, SLC18A3 | TSHR 1461/4885HSD17B10 1115/4885EPHX1 808/4885 |
| US-20070203111-A1 | Cycloalkylamines as monoamine reuptake inhibitors | SLC18A2, SLC6A2, SLC18A3 | TSHR 1461/4885HSD17B10 1115/4885EPHX1 808/4885 |
| US-20100190861-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SLC18A2, SLC6A2, SLC18A3 | TSHR 1461/4885HSD17B10 1115/4885EPHX1 808/4885 |
| US-10562878-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SLC18A2, SLC6A2, SLC18A3 | TSHR 1461/4885HSD17B10 1115/4885EPHX1 808/4885 |
| US-20090305892-A1 | PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS | PNPO, CBR3, CBR1 | TSHR 1128/4885HSD17B10 1271/4885EPHX1 240/4885 |
“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.