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 | |
|---|---|---|---|---|
| ▸ | SSTR3 known ✓ | P32745 | 1/20 | 0.47 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.45 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29543699 | 0.98 | RAB9A (0.52) | RAB9ATDP1SSTR3KDM4EALDH1A1 | |
| SCHEMBL29692701 | 0.98 | RAB9A (0.52) | RAB9ATDP1SSTR3KDM4EALDH1A1 | |
| SCHEMBL6471891 | 0.91 | RAB9A (0.54) | RAB9ATDP1KDM4EALDH1A1HPGD | |
| SCHEMBL29823094 | 0.91 | RAB9A (0.54) | RAB9ATDP1KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL29804655 | 0.89 | KDM4E (0.51) | RAB9ATDP1SSTR3KDM4EALDH1A1 | |
| SCHEMBL11462871 | 0.88 | KDM4E (0.51) | RAB9ATDP1KDM4EALDH1A1HPGD | |
| SCHEMBL11465811 | 0.88 | KDM4E (0.51) | RAB9ATDP1KDM4EALDH1A1HPGD | |
| SCHEMBL29669931 | 0.88 | RAB9A (0.47) | RAB9ATDP1SSTR3KDM4EALDH1A1 | |
| SCHEMBL30585185 | 0.87 | KDM4E (0.52) | RAB9ATDP1SSTR3KDM4EALDH1A1 | |
| SCHEMBL29567047 | 0.87 | KDM4E (0.48) | RAB9ATDP1KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011025957-A2 | TG-APROTININ FUSION PROTEINS AND MATRICES THEREOF | ECOLE POLYTECHNIQUE FEDERAL DE LAUSANNE (CH) | 2011-03-03 | — | — | WO | disclosed |