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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 20/20 | 0.73 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.73 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.73 |
| ▸ | LCK | P06239 | 4/20 | 0.69 |
| ▸ | SRC | P12931 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 1/20 | 0.69 |
| ▸ | TEK | Q02763 | 1/20 | 0.69 |
| ▸ | EGFR | P00533 | 3/20 | 0.67 |
| ▸ | ITK | Q08881 | 2/20 | 0.65 |
| ▸ | KIT | P10721 | 1/20 | 0.63 |
| ▸ | FLT3 | P36888 | 1/20 | 0.63 |
| ▸ | LYN | P07948 | 1/20 | 0.62 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL19638288 | 0.98 | BTK (0.75) | BTKNUDT14NUDT5LCKSRC | |
| Methylpiperazine SCHEMBL7136284 | 0.96 | BTK (0.67) | BTKNUDT14NUDT5LCKSRC | |
| Acetic Acid SCHEMBL6433269 | 0.92 | BTK (0.74) | BTKNUDT14NUDT5LCKEGFR | |
| SCHEMBL6433637 | 0.91 | BTK (0.68) | BTKNUDT14NUDT5LCKSRC | |
| SCHEMBL17951588 | 0.89 | BTK (0.79) | BTKNUDT14NUDT5LCKSRC | |
| SCHEMBL17951522 | 0.89 | BTK (0.77) | BTKNUDT14NUDT5LCKEGFR | |
| Hydrochloric Acid SCHEMBL28719796 | 0.88 | BTK (0.68) | BTKNUDT14NUDT5LCKEGFR | |
| Hydrochloric Acid SCHEMBL29494176 | 0.88 | BTK (0.68) | BTKNUDT14NUDT5LCKEGFR | |
| SCHEMBL28716940 | 0.88 | BTK (0.66) | BTKNUDT14NUDT5LCKEGFR | |
| SCHEMBL6438094 | 0.88 | BTK (0.81) | BTKNUDT14NUDT5LCKSRC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921763-B2 | Pyrazolopyrimidines as therapeutic agents | ABBOTT LABORATORIES (US) | 2005-07-26 | — | — | US | disclosed |
| US-20050008640-A1 | Method of treating transplant rejection | ABBOTT LABORATORIES | 2005-01-13 | — | — | US | disclosed |
| WO-2004100868-A2 | METHOD OF TREATING TRANSPLANT REJECTION | ABBOTT LABORATORIES (US) | 2004-11-25 | — | — | WO | disclosed |
| EP-1212327-B1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | BASF AG (DE) | 2003-08-20 | — | — | EP | disclosed |
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | ABBOTT LABORATORIES (US) | 2002-10-24 | — | — | 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 (2 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-20050008640-A1 | Method of treating transplant rejection | LCK, ZAP70, FYN | BTK 42/4885NUDT14 2648/4885NUDT5 2284/4885 |
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, CYP2D6, UGT1A1 | BTK 1020/4885NUDT14 162/4885NUDT5 203/4885 |
“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.