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 | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | CAMK2D | Q13557 | 12/20 | 0.50 |
| ▸ | PRKACA | P17612 | 5/20 | 0.50 |
| ▸ | PRKACG | P22612 | 5/20 | 0.50 |
| ▸ | PRKACB | P22694 | 5/20 | 0.50 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7012175 | 0.83 | RPS6KB1 (0.59) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| SCHEMBL7004902 | 0.82 | CAMK2D (0.56) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| SCHEMBL6981937 | 0.80 | CAMK2D (0.56) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL7008461 | 0.79 | CAMK2D (0.49) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL6985276 | 0.79 | CAMK2D (0.49) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| SCHEMBL7007889 | 0.78 | CAMK2D (0.62) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| SCHEMBL6979319 | 0.77 | CAMK2D (0.52) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL7011017 | 0.77 | CAMK2D (0.54) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL6984540 | 0.76 | CAMK2D (0.46) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB | |
| SCHEMBL6980064 | 0.75 | PRKACA (0.52) | RPS6KB1CAMK2DPRKACAPRKACGPRKACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042317-B1 | Indole derivatives as PKC-inhiboitors | ASTRAZENECA AB (SE) | 2003-05-14 | — | — | EP | disclosed |