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 | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 6/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 6/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 6/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 3/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11226295 | 0.93 | — | — | |
| Acetic Acid SCHEMBL16498836 | 0.84 | KDM4E (0.41) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL22587458 | 0.77 | KDM4E (0.43) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL92858 | 0.77 | KDM4E (0.43) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL8197251 | 0.77 | — | — | |
| SCHEMBL11150873 | 0.74 | SLC6A1 (0.38) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL7992414 | 0.74 | — | — | |
| SCHEMBL16512741 | 0.72 | SLC6A12 (0.50) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL2466288 | 0.72 | SLC6A12 (0.50) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL16499292 | 0.72 | SLC6A12 (0.50) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 |
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-4956368-A | Antipsychotic agents | BRISTOL-MYERS COMPANY (US) | 1990-09-11 | — | — | US | disclosed |