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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL15071082 | 0.90 | CSNK2A1 (0.39) | ALDH1A1SMN1; SMN2CSNK2A1PARP1TNKS2 | |
| SCHEMBL30951806 | 0.72 | PARP1 (0.43) | HSP90AA1ESR2TDP1PARP1PDE4A | |
| SCHEMBL13606477 | 0.68 | CSNK2A2 (0.39) | ALDH1A1CSNK2A1FFAR2TYMS | |
| SCHEMBL5586200 | 0.66 | ADORA3 (0.50) | POLBALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21820579 | 0.65 | XDH (0.50) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL15071204 | 0.65 | ADORA3 (0.32) | — | |
| SCHEMBL16809188 | 0.62 | CSNK2A1 (0.37) | HSP90AA1ESR2TDP1POLBHSD17B10 | |
| SCHEMBL17285612 | 0.61 | HSP90AA1 (0.54) | HSP90AA1ESR2TDP1POLBHSD17B10 | |
| SCHEMBL16719118 | 0.61 | PDE10A (0.35) | TDP1POLBHSD17B10ALDH1A1RAB9A | |
| SCHEMBL22011133 | 0.61 | CSNK2A1 (0.39) | HSP90AA1ESR2TDP1POLBHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794605-A1 | 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-29 | — | — | EP | disclosed |
| US-8815877-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130178486-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2013-07-11 | — | — | US | disclosed |
| WO-2013092940-A1 | 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-27 | — | — | WO | 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-20130178486-A1 | SERINE/THREONINE KINASE INHIBITORS | PAK1, AKT1, PAK3 | ESR2 1807/4885HSP90AA1 2275/4885TDP1 1114/4885 |
“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.