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 | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1551599 | 0.93 | BIRC5 (0.41) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL2158462 | 0.81 | MAP4K4 (0.42) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL2158477 | 0.71 | HSP90AB1 (0.49) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL1551276 | 0.70 | CA12 (0.45) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL13575004 | 0.69 | HSP90AA1 (0.34) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL1550962 | 0.69 | BIRC5 (0.41) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL1550960 | 0.69 | BIRC5 (0.41) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL3800957 | 0.68 | BIRC5 (0.44) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| Hydrochloric Acid SCHEMBL2158654 | 0.68 | BIRC5 (0.40) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| Hydrochloric Acid SCHEMBL2158655 | 0.68 | BIRC5 (0.40) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8178687-B2 | Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof | SANOFI-AVENTIS (FR) | 2012-05-15 | — | — | US | disclosed |
| US-20110184015-A1 | NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-07-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110184015-A1 | NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | HSP90AB1, HSP90AB2P, HSP90AA1 | MAP4K4 3195/4885CSNK1G2 223/4885CLK4 1471/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.