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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARG | Q86W56 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29930880 | 0.90 | GAA (0.61) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL11302589 | 0.90 | GAA (0.61) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL29833731 | 0.86 | GAA (0.55) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL19631170 | 0.81 | GAA (0.50) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL6203144 | 0.79 | GAA (0.53) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL5657927 | 0.79 | GAA (0.53) | GAARCE1MAPTMEN1KMT2A | |
| SCHEMBL1032471 | 0.77 | MEN1 (0.58) | GAARCE1MAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL27942180 | 0.77 | KMT2A (0.60) | GAARCE1MAPTMEN1KMT2A | |
| Acetic Acid SCHEMBL7099991 | 0.75 | CYP1A2 (0.76) | MAPTMEN1KMT2APTPN7TDP1 | |
| SCHEMBL8469481 | 0.75 | GAA (0.53) | GAARCE1MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115052869-A | Substituted thiophenecarboxamides and derivatives thereof | 拜耳公司 | 2022-09-13 | — | — | CN | disclosed |