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 | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 20/20 | 0.67 |
| ▸ | FLT3 | P36888 | 2/20 | 0.65 |
| ▸ | KIT | P10721 | 1/20 | 0.65 |
| ▸ | EGFR | P00533 | 4/20 | 0.62 |
| ▸ | LCK | P06239 | 3/20 | 0.62 |
| ▸ | ITK | Q08881 | 3/20 | 0.62 |
| ▸ | LYN | P07948 | 3/20 | 0.61 |
| ▸ | TEC | P42680 | 3/20 | 0.61 |
| ▸ | BMX | P51813 | 3/20 | 0.61 |
| ▸ | TXK | P42681 | 2/20 | 0.61 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.61 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.61 |
| ▸ | LATS1 | O95835 | 1/20 | 0.61 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.61 |
| ▸ | ABL1 | P00519 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6434345 | 0.92 | BTK (0.70) | BTKFLT3KITEGFRLCK | |
| SCHEMBL19638229 | 0.90 | BTK (0.72) | BTKFLT3KITEGFRLCK | |
| Acetic Acid SCHEMBL5819970 | 0.88 | BTK (0.82) | BTKFLT3KITEGFRLCK | |
| Acetic Acid SCHEMBL6430451 | 0.88 | BTK (0.66) | BTKFLT3KITEGFRLCK | |
| SCHEMBL5801655 | 0.88 | BTK (0.71) | BTKFLT3KITEGFRLCK | |
| SCHEMBL6431323 | 0.88 | BTK (0.67) | BTKFLT3KITEGFRLCK | |
| SCHEMBL6435050 | 0.87 | BTK (0.65) | BTKFLT3KITEGFRLCK | |
| SCHEMBL6645874 | 0.86 | BTK (0.85) | BTKFLT3KITEGFRLCK | |
| SCHEMBL6432923 | 0.86 | BTK (0.65) | BTKFLT3KITEGFRLCK | |
| SCHEMBL7144296 | 0.86 | BTK (0.73) | BTKFLT3EGFRLCKITK |
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 |
| US-6660744-B1 | Kinase inhibitors | ABBOTT GMBH & CO. KG (DE) | 2003-12-09 | — | — | US | 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 42/4885FLT3 335/4885KIT 330/4885 |
| US-20020156081-A1 | Pyrazolopyrimidines as therapeutic agents | DPYD, CYP2D6, UGT1A1 | BTK 1020/4885FLT3 67/4885KIT 445/4885 |
“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.