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 | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
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 SCHEMBL29139509 | 0.86 | CXCR4 (0.33) | PNMTTSHRSLC6A1SLC6A13BLM | |
| Acetic Acid SCHEMBL5763600 | 0.85 | FFAR3 (0.37) | PNMTTSHRGABRA1GABRB2GABRP | |
| SCHEMBL11749187 | 0.84 | — | — | |
| SCHEMBL4298137 | 0.84 | — | — | |
| SCHEMBL10715 | 0.84 | — | — | |
| Ethylene SCHEMBL4230122 | 0.79 | — | — | |
| Butane SCHEMBL8445223 | 0.78 | GABRA1 (0.34) | PNMTGABRA1GABRB2GABRPGABRD | |
| Ethylene Glycol SCHEMBL28999587 | 0.78 | GABRA1 (0.34) | PNMTGABRA1GABRB2GABRPGABRD | |
| Formic Acid SCHEMBL29018918 | 0.78 | — | — | |
| SCHEMBL31553570 | 0.74 | CHRM3 (0.35) | TSHRBLMCYP2C19CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103748087-A | Indazole- and pyrrolopyridine-derivative and pharmaceutical use thereof | DAINIPPON SUMITOMO PHARMA CO | 2014-04-23 | — | — | CN | disclosed |
| CN-101289445-A | Aniline quinazoline derivatives, preparation method and uses thereof | SHANGHAI INST MATERIA MEDICA (CN) | 2008-10-22 | — | — | CN | disclosed |