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 | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 4/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.47 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.47 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.47 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.47 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27854761 | 0.87 | SLC6A1 (0.50) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Succinic Acid SCHEMBL28131963 | 0.83 | SLC6A1 (0.53) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Fumaric Acid SCHEMBL5669341 | 0.83 | SLC6A1 (0.44) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Fumaric Acid SCHEMBL5669347 | 0.83 | SLC6A1 (0.44) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| SCHEMBL242920 | 0.83 | — | — | |
| SCHEMBL203460 | 0.83 | — | — | |
| SCHEMBL336177 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL1695704 | 0.81 | SLC6A1 (0.42) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Cadaverine Tartrate SCHEMBL5764084 | 0.81 | SLC6A1 (0.42) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Trifluoroacetic Acid SCHEMBL28210823 | 0.81 | SLC6A1 (0.42) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 |
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-102300862-A | Compounds useful as inhibitors of ATR kinase | — | 2011-12-28 | — | — | CN | disclosed |