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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2021291 | 0.95 | USP2 (0.44) | TSHRUSP2LDHASRRCA2 | |
| SCHEMBL1304206 | 0.92 | USP2 (0.42) | TSHRUSP2LDHASRRCA2 | |
| SCHEMBL21378830 | 0.87 | ALDH1A1 (0.42) | TSHRUSP2LDHASRRCA2 | |
| SCHEMBL287783 | 0.81 | HDAC1 (0.52) | TSHRUSP2LDHASRRCA2 | |
| SCHEMBL14285857 | 0.81 | USP2 (0.50) | TSHRUSP2CA2MAPK1SLC1A3 | |
| Potassium SCHEMBL31652342 | 0.81 | USP2 (0.50) | TSHRUSP2CA2MAPK1SLC1A3 | |
| Malonic Acid SCHEMBL28607314 | 0.80 | LDHA (0.45) | TSHRUSP2LDHASRRCA2 | |
| SCHEMBL28141545 | 0.79 | SLC1A3 (0.41) | TSHRUSP2CA2SLC1A3SLC1A2 | |
| SCHEMBL1935489 | 0.79 | TSHR (0.44) | TSHRUSP2CA2MAPK1SLC1A3 | |
| SCHEMBL21066713 | 0.79 | USP2 (0.33) | TSHRUSP2CA2MAPK1SLC1A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0572472-B1 | COATING POWDERS | ALCAN INT LTD (CA) | 1996-07-31 | — | — | EP | disclosed |
| EP-0572472-A1 | COATING POWDERS. | ALCAN INT LTD (CA) | 1993-12-08 | — | — | EP | disclosed |
| WO-1992014792-A1 | COATING POWDERS | ALCAN INTERNATIONAL LIMITED (CA) | 1992-09-03 | — | — | WO | disclosed |