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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.54 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | STAT1 | P42224 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL5533098 | 0.93 | MAPT (0.75) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL50646 | 0.93 | MAPT (0.68) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetic Acid SCHEMBL6439495 | 0.91 | TSHR (0.67) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL211540 | 0.88 | TSHR (0.71) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetophenone SCHEMBL27276740 | 0.88 | MAPT (0.68) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetic Acid SCHEMBL28372390 | 0.87 | CES2 (0.56) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Acetic Acid SCHEMBL9711112 | 0.87 | MAPT (0.54) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Water SCHEMBL29952082 | 0.85 | TSHR (0.67) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Potassium SCHEMBL31268570 | 0.85 | TSHR (0.67) | MAPTSMN1; SMN2HPGDRAB9ALMNA | |
| Barium SCHEMBL31268595 | 0.85 | TSHR (0.67) | MAPTSMN1; SMN2HPGDRAB9ALMNA |
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-104640906-A | High efficiency wet strength resins from novel crosslinkers | GEORGIA PACIFIC CHEMICALS LLC | 2015-05-20 | — | — | CN | disclosed |