Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 14/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5128603 | 1.00 | HTR4 (0.65) | HTR4CYP3A4ACHEEDNRA | |
| SCHEMBL5112435 | 0.92 | HTR4 (0.77) | HTR4CYP3A4ACHE | |
| SCHEMBL5126575 | 0.92 | HTR4 (0.77) | HTR4CYP3A4ACHE | |
| SCHEMBL2332354 | 0.92 | HTR4 (0.77) | HTR4CYP3A4ACHE | |
| SCHEMBL2333485 | 0.92 | HTR4 (0.77) | HTR4CYP3A4ACHE | |
| Oxalic Acid SCHEMBL5119856 | 0.90 | HTR4 (0.71) | HTR4CYP3A4ACHE | |
| SCHEMBL5117066 | 0.86 | HTR4 (0.83) | HTR4CYP3A4ACHE | |
| SCHEMBL5116299 | 0.84 | HTR4 (0.78) | HTR4CYP3A4ACHE | |
| SCHEMBL2334363 | 0.84 | HTR4 (0.78) | HTR4CYP3A4ACHE | |
| SCHEMBL5112345 | 0.84 | HTR4 (0.78) | HTR4CYP3A4ACHE |
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-8816090-B2 | Benzisoxazole derivatives | PFIZER INC. (US) | 2014-08-26 | — | — | US | disclosed |
| EP-1856114-B1 | BENZISOXAZOLE DERIVATIVES | PFIZER (US) | 2014-08-20 | — | — | EP | disclosed |
| US-20080207690-A1 | Benzisoxazole Derivatives | RAQUALIA PHARMA INC. (JP) | 2008-08-28 | — | — | 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-20080207690-A1 | Benzisoxazole Derivatives | BRS3, MRGPRX4, HTR4 | HTR4 3/4885CYP3A4 142/4885ACHE 170/4885 |
“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.