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 | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 6/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13441 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL366688 | 0.85 | PNMT (0.95) | PNMTCD44MAOB | |
| Bromide SCHEMBL28557676 | 0.85 | PNMT (0.95) | PNMTCD44MAOB | |
| Phosphoric Acid SCHEMBL28555163 | 0.84 | PNMT (0.78) | PNMTCD44MAOB | |
| Hydrochloric Acid SCHEMBL5317536 | 0.83 | PNMT (0.91) | PNMTCD44MAOB | |
| SCHEMBL5425390 | 0.79 | PNMT (0.58) | PNMT | |
| Oxalic Acid SCHEMBL8872780 | 0.79 | PNMT (0.58) | PNMTCD44MAOB | |
| SCHEMBL3581219 | 0.75 | PNMT (0.76) | PNMTCD44MAOB | |
| SCHEMBL997292 | 0.74 | PNMT (0.75) | PNMTCD44MAOB | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4007316 | 0.74 | PNMT (0.73) | PNMTCD44MAOB |
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-106928251-B | Preparation method of high-purity clopidogrel | 江苏天士力帝益药业有限公司 | 2021-05-04 | — | — | CN | disclosed |