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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 10/20 | 0.79 |
| ▸ | DRD3 | P35462 | 9/20 | 0.79 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.79 |
| ▸ | DRD4 | P21917 | 3/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
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 SCHEMBL28946871 | 0.89 | ADRB1 (0.77) | DRD2DRD3ADRB1DRD4HTR1A | |
| SCHEMBL6352699 | 0.89 | DRD2 (1.00) | DRD2DRD3ADRB1DRD4HTR1A | |
| SCHEMBL29367982 | 0.89 | DRD2 (1.00) | DRD2DRD3ADRB1DRD4HTR1A | |
| SCHEMBL8511 | 0.89 | DRD2 (1.00) | DRD2DRD3ADRB1DRD4HTR1A | |
| Hydrochloric Acid SCHEMBL246338 | 0.87 | DRD2 (0.96) | DRD2DRD3ADRB1DRD4HTR1A | |
| Piperazine SCHEMBL28251276 | 0.87 | DRD2 (0.96) | DRD2DRD3ADRB1DRD4HTR1A | |
| Bromide SCHEMBL981906 | 0.87 | DRD2 (0.96) | DRD2DRD3ADRB1DRD4HTR1A | |
| Hydrochloric Acid SCHEMBL29470848 | 0.87 | DRD2 (0.96) | DRD2DRD3ADRB1DRD4HTR1A | |
| Hydrochloric Acid SCHEMBL2217039 | 0.87 | DRD2 (0.96) | DRD2DRD3ADRB1DRD4HTR1A | |
| Sulfuric Acid SCHEMBL28308331 | 0.86 | DRD2 (0.81) | DRD2DRD3ADRB1DRD4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110128336-A | A kind of preparation method of Aripiprazole | 岳阳新华达制药有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-110128336-A | A kind of preparation method of Aripiprazole | 岳阳新华达制药有限公司 | 2019-08-16 | — | — | CN | disclosed |