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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR2 known ✓ | P30874 | 3/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 9/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1550931 | 0.93 | AMY1A (0.47) | AMY1ASSTR2KCNH2F7IDO1 | |
| SCHEMBL2747190 | 0.87 | AMY1A (0.43) | AMY1ASSTR2KCNH2F7IDO1 | |
| SCHEMBL2159654 | 0.83 | AMY1A (0.43) | AMY1AF7IDO1HRH4 | |
| SCHEMBL1551252 | 0.77 | PDE5A (0.45) | — | |
| Acetic Acid SCHEMBL2158454 | 0.74 | MAP4K4 (0.45) | — | |
| SCHEMBL1551580 | 0.73 | AMY1A (0.49) | AMY1AF7IDO1 | |
| SCHEMBL2158416 | 0.73 | HSP90AB1 (0.56) | AMY1AIDO1 | |
| SCHEMBL2159652 | 0.73 | AMY1A (0.47) | AMY1AF7IDO1 | |
| SCHEMBL1551883 | 0.73 | AMY1A (0.47) | AMY1AF7IDO1 | |
| SCHEMBL13575002 | 0.72 | AMY1A (0.33) | AMY1AF7IDO1 |
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 | SSTR2 2130/4885AMY1A 1392/4885KCNH2 2227/4885 |
“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.