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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2353757 | 0.94 | ALDH1A1 (0.58) | ALDH1A1LMNANPC1RAB9ASMN1; SMN2 | |
| Acetic Acid SCHEMBL6271336 | 0.82 | L3MBTL1 (0.47) | NPC1RAB9ASMN1; SMN2KDM4EAKR1C3 | |
| SCHEMBL1074961 | 0.81 | ALDH1A1 (0.56) | ALDH1A1RAB9ASMN1; SMN2SRD5A2AKR1C3 | |
| SCHEMBL13328057 | 0.80 | TPMT (0.47) | ALDH1A1LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1892162 | 0.79 | RAB9A (0.54) | ALDH1A1RAB9ASMN1; SMN2SRD5A2TSHR | |
| Hydrochloric Acid SCHEMBL29381203 | 0.79 | RAB9A (0.54) | ALDH1A1RAB9ASMN1; SMN2SRD5A2TSHR | |
| SCHEMBL28193458 | 0.78 | CDC25B (0.52) | LMNANPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL9650611 | 0.77 | PARP1 (0.50) | SMN1; SMN2KDM4EL3MBTL1POLBMEN1 | |
| SCHEMBL13328043 | 0.77 | RAB9A (0.45) | ALDH1A1LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1897467 | 0.77 | MAPT (0.56) | LMNANPC1RAB9ASMN1; SMN2SRD5A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060122150-A1 | Pharmaceutical composition and method for treating a joint-capsule arthropathy | JANSSEN PHARMACEUTICA, N.V. (US) | 2006-06-08 | — | — | US | claimed |
| WO-2006039704-A2 | PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING A JOINT CAPSULE ARTHROPATHY | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-04-13 | — | — | WO | claimed |
| WO-2007001932-A2 | SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-01-04 | — | — | WO | disclosed |
| US-20060293374-A1 | Substituted isothiazolones | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-12-28 | — | — | US | disclosed |
| US-20060122150-A1 | Pharmaceutical composition and method for treating a joint-capsule arthropathy | JANSSEN PHARMACEUTICA, N.V. (US) | 2006-06-08 | — | — | US | disclosed |
| WO-2006039704-A2 | PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING A JOINT CAPSULE ARTHROPATHY | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-04-13 | — | — | WO | disclosed |
| CN-1636007-A | Cyclic salen-metal compounds as scavengers for oxygen radicals and useful as antioxidants in the treatment and prevention of diseases | EUKARION INC (US) | 2005-07-06 | — | — | CN | 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 (1 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-20060293374-A1 | Substituted isothiazolones | LTB4R2, PTGES2, CYSLTR2 | ALDH1A1 850/4885LMNA 3518/4885NPC1 1010/4885 |
“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.