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 | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.57 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.57 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL617591 | 0.94 | GNAI3 (0.62) | GNAI3GNAO1GNAI1EPHX1POLB | |
| Hydrochloric Acid SCHEMBL6163168 | 0.92 | GNAI3 (0.65) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL4782330 | 0.83 | KCNH2 (0.52) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL10444151 | 0.83 | KCNH2 (0.52) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL12403611 | 0.83 | KCNH2 (0.52) | GNAI3GNAO1GNAI1EPHX1POLB | |
| Hydrochloric Acid SCHEMBL17560472 | 0.81 | GNAI3 (0.53) | GNAI3GNAO1GNAI1EPHX1POLB | |
| Hydrochloric Acid SCHEMBL28060427 | 0.81 | GNAI3 (0.53) | GNAI3GNAO1GNAI1EPHX1POLB | |
| Hydrochloric Acid SCHEMBL28301968 | 0.81 | GNAI3 (0.53) | GNAI3GNAO1GNAI1EPHX1POLB | |
| Hydrochloric Acid SCHEMBL2013464 | 0.81 | GNAI3 (0.53) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL4729607 | 0.81 | EPHX1 (0.53) | GNAI3GNAO1GNAI1EPHX1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5214055-A | Analgesics, psychological disorders, anxiolytic agents | ADIR ET COMPAGNIE (FR) | 1993-05-25 | — | — | US | disclosed |
| US-5189045-A | Antiserotonine agent | ADIR ET COMPAGNIE (FR) | 1993-02-23 | — | — | US | disclosed |