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 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.56 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11254605 | 0.95 | RAB9A (0.58) | RAB9ANPC1SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL11272574 | 0.84 | RAB9A (0.54) | RAB9ANPC1SMN1; SMN2MAPTGAA | |
| SCHEMBL11250314 | 0.84 | KDM4E (0.60) | RAB9ANPC1SMN1; SMN2MAPTGAA | |
| SCHEMBL11263762 | 0.81 | KDM4E (0.45) | RAB9ANPC1SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL11296296 | 0.80 | ALDH1A1 (0.58) | RAB9ANPC1SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL2765160 | 0.78 | CDC7 (0.61) | SMN1; SMN2MAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL11259410 | 0.78 | GAA (0.60) | NPC1SMN1; SMN2MAPTGAALMNA | |
| SCHEMBL11267793 | 0.77 | HTT (0.57) | RAB9ANPC1SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL28297256 | 0.75 | CDC7 (0.48) | MAPTLMNAKDM4EALDH1A1ABCC1 | |
| SCHEMBL11252937 | 0.72 | POLB (0.47) | SMN1; SMN2MAPTGAALMNAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4363813-A | ANTIPEPTIC ULCER AGENT | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-12-14 | — | — | US | disclosed |