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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ULK1 | O75385 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11121033 | 0.86 | TRPV1 (0.58) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL11122000 | 0.85 | TOP1 (0.47) | RAB9ANPC1SMN1; SMN2GAAULK1 | |
| Acetic Acid SCHEMBL11124335 | 0.85 | MEN1 (0.56) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL11122404 | 0.83 | PRMT1 (0.64) | SMN1; SMN2ULK1PRMT1MEN1KMT2A | |
| Acetic Acid SCHEMBL11123129 | 0.82 | LMNA (0.51) | NPC1SMN1; SMN2LMNAELANE | |
| SCHEMBL2825223 | 0.80 | SMN1; SMN2 (0.71) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL6559613 | 0.74 | CASP6 (0.65) | ULK1ALDH1A1PRMT1MEN1KMT2A | |
| SCHEMBL31114032 | 0.74 | SMN1; SMN2 (0.64) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL2831130 | 0.73 | MAPT (0.50) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL11582870 | 0.73 | CASP6 (0.64) | ULK1ALDH1A1PRMT1MEN1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0033831-B1 | SUBSTITUTED NAPHTHOIC ACIDS | AMERICAN CYANAMID COMPANY (US) | 1984-04-11 | — | — | EP | claimed |
| WO-1982003550-A1 | SUBSTITUTED NAPHTHOIC ACIDS | AMERICAN CYANAMID CO (US) | 1982-10-28 | — | — | WO | claimed |
| US-4291169-A | UREIDOS OF SUBSTITUTED NAPHTHOIC ACID AMINES CHEMICAL INTERMEDIATES | AMERICAN CYANAMID COMPANY (US) | 1981-09-22 | — | — | US | claimed |
| EP-0033831-A2 | Substituted naphthoic acids | AMERICAN CYANAMID COMPANY (US) | 1981-08-19 | — | — | EP | claimed |
| EP-0033831-B1 | SUBSTITUTED NAPHTHOIC ACIDS | AMERICAN CYANAMID COMPANY (US) | 1984-04-11 | — | — | EP | disclosed |
| WO-1982003550-A1 | SUBSTITUTED NAPHTHOIC ACIDS | AMERICAN CYANAMID CO (US) | 1982-10-28 | — | — | WO | disclosed |
| US-4291169-A | UREIDOS OF SUBSTITUTED NAPHTHOIC ACID AMINES CHEMICAL INTERMEDIATES | AMERICAN CYANAMID COMPANY (US) | 1981-09-22 | — | — | US | disclosed |
| EP-0033831-A2 | Substituted naphthoic acids | AMERICAN CYANAMID COMPANY (US) | 1981-08-19 | — | — | EP | disclosed |
| US-4275076-A | UREIDES OF SUBSTITUTED NAPHTHOIC ACIDS AS INHIBITORS OF CONNECTIVE TISSUE DESTRUCTION | AMERICAN CYANAMID COMPANY (US) | 1981-06-23 | — | — | US | disclosed |