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 | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 7/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 6/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 6/20 | 0.51 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720301 | 0.95 | PIK3CB (0.53) | PIK3CDPIK3CAPIK3CBPIK3CGP2RX7 | |
| Acetic Acid SCHEMBL14720357 | 0.87 | KDM4E (0.43) | PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL14720444 | 0.85 | PIK3CD (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGP2RX7 | |
| SCHEMBL14720271 | 0.85 | PIK3CB (0.57) | PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL14720100 | 0.83 | PIK3CB (0.57) | PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL14720221 | 0.83 | PIK3CB (0.58) | PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL14723567 | 0.81 | PIK3CB (0.60) | PIK3CDPIK3CAPIK3CBPIK3CGMAPK1 | |
| SCHEMBL14720445 | 0.81 | KDM4E (0.42) | PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL15843956 | 0.77 | PIK3CD (0.43) | PIK3CDPIK3CAPIK3CBPIK3CGP2RX7 | |
| SCHEMBL15843942 | 0.76 | PIK3CB (0.56) | PIK3CDPIK3CAPIK3CBPIK3CG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096605-B2 | Pyrazolopyrimidine derivatives as PI3 kinase inhibitors | GLAXOSMITHKLINE LLC (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140187545-A1 | Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors | GLAXOSMITHKLINE LLC (US) | 2014-07-03 | — | — | US | disclosed |
| WO-2013028263-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | 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-20140187545-A1 | Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors | PI4KB, PIK3CA, PI4K2B | PIK3CD 7/4885PIK3CA 2/4885PIK3CB 6/4885 |
“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.