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 | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.52 |
| ▸ | GABRD | O14764 | 2/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.52 |
| ▸ | GABRE | P78334 | 2/20 | 0.52 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.52 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.52 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.52 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.46 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.42 |
| ▸ | KDM4A | O75164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1131636 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9106970 | 0.92 | — | — | |
| SCHEMBL1131957 | 0.80 | — | — | |
| SCHEMBL1131420 | 0.80 | GABRP (0.52) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL5311695 | 0.79 | GABRP (0.56) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29036720 | 0.79 | — | — | |
| SCHEMBL28770621 | 0.78 | LMNA (0.52) | LMNAENPEPNFKB1 | |
| SCHEMBL10564210 | 0.76 | TSHR (0.55) | LMNANFKB1 | |
| SCHEMBL27780686 | 0.76 | TSHR (0.55) | LMNANFKB1 | |
| SCHEMBL9446901 | 0.76 | TSHR (0.55) | LMNANFKB1 |
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-4035457-A | Nonbiodegradable polymers | CHEMICAL SYSTEMS INCORPORATED (US) | 1977-07-12 | — | — | US | disclosed |