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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.48 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.48 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.48 |
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 SCHEMBL4544173 | 0.88 | ACHE (0.59) | CA1ACHECHRM5CHRM1CHRM3 | |
| Choline SCHEMBL316506 | 0.85 | LMNA (0.63) | CA1ACHECHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL3684341 | 0.85 | CA1 (0.44) | CA1ACHECHRM5CHRM1CHRM3 | |
| Choline SCHEMBL28990098 | 0.83 | LMNA (0.60) | CA1ACHECHRM5CHRM1CHRM3 | |
| Choline SCHEMBL30113090 | 0.83 | LMNA (0.60) | CA1ACHECHRM5CHRM1CHRM3 | |
| Choline SCHEMBL28408316 | 0.83 | LMNA (0.60) | CA1ACHECHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL5574141 | 0.81 | DNM1 (0.52) | CA1ACHESMN1; SMN2RAB9ALMNA | |
| Acetic Acid SCHEMBL6291575 | 0.81 | GALR3 (0.43) | CA1ACHECHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL319522 | 0.81 | ACHE (0.52) | CA1ACHECHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL3386939 | 0.81 | ACHE (0.41) | CA1ACHECHRM5CHRM1CHRM3 |
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-4118373-A | Preparation of urethane elastomers from epoxy resin, polyols and polyisocyanates using a catalyst composition of an organometal salt with either nitrogen or phosphorus compounds | THE DOW CHEMICAL COMPANY (US) | 1978-10-03 | — | — | US | disclosed |