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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 2/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.30 |
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 SCHEMBL15190863 | 1.00 | ALOX5 (0.41) | ALOX5ARG1ARG2SMYD3BRD4 | |
| SCHEMBL12714638 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| SCHEMBL530402 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| SCHEMBL529130 | 0.87 | BRD4 (0.37) | ALOX5BRD4 | |
| Trifluoroacetic Acid SCHEMBL19502953 | 0.85 | ALOX5 (0.36) | ALOX5ARG1ARG2SMYD3BRD4 | |
| Trifluoroacetic Acid SCHEMBL19502951 | 0.85 | ALOX5 (0.36) | ALOX5ARG1ARG2SMYD3BRD4 | |
| Hydrochloric Acid SCHEMBL15191411 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL529660 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL15191068 | 0.85 | BRD4 (0.36) | ALOX5BRD4 | |
| Hydrochloric Acid SCHEMBL15191371 | 0.85 | BRD4 (0.36) | ALOX5BRD4 |
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-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | disclosed |