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 | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.95 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 SCHEMBL6897109 | 1.00 | AKR1C3 (0.95) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| SCHEMBL41906 | 0.98 | AKR1C3 (1.00) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| SCHEMBL581982 | 0.98 | AKR1C3 (1.00) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| SCHEMBL16568719 | 0.98 | AKR1C3 (1.00) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| SCHEMBL37034 | 0.98 | AKR1C3 (1.00) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| SCHEMBL27719681 | 0.95 | AKR1C3 (0.95) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| Ammonia Solution, Strong SCHEMBL6327037 | 0.95 | AKR1C3 (0.95) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| Ammonia Solution, Strong SCHEMBL6328951 | 0.95 | AKR1C3 (0.95) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| Hydrochloric Acid SCHEMBL9445639 | 0.95 | AKR1C3 (0.95) | AKR1C3HTTALDH1A1TSHRAKR1C1 | |
| Biphenyl SCHEMBL28220466 | 0.91 | AKR1C3 (0.88) | AKR1C3HTTALDH1A1TSHRAKR1C1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |