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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | GABRD | O14764 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.37 |
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 SCHEMBL6315264 | 0.82 | — | — | |
| Acetic Acid SCHEMBL998512 | 0.82 | FFAR3 (0.58) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL7456705 | 0.82 | FFAR3 (0.58) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL23548939 | 0.82 | FFAR3 (0.58) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| 4,4-Difluoro-Piperidinium SCHEMBL1257616 | 0.79 | KDM4E (0.39) | CYP1A2GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL31693644 | 0.79 | FFAR3 (0.61) | CYP1A2GABRDGABRA1GABRB1GABRA5 | |
| Acetic Acid SCHEMBL9053450 | 0.78 | FFAR3 (0.54) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL3451040 | 0.78 | FFAR3 (0.54) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL9599616 | 0.78 | FFAR3 (0.54) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Acetic Acid SCHEMBL3645655 | 0.78 | FFAR3 (0.54) | GABRDGABRA1GABRB1GABRA5GABRA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926730-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007030061-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-03-15 | — | — | WO | disclosed |