Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13443806 | 0.78 | BTK (0.49) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL4266314 | 0.78 | KDM4E (0.53) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL26132370 | 0.77 | BTK (0.48) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| Hydrochloric Acid SCHEMBL11618442 | 0.77 | KDM4E (0.52) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL18687685 | 0.77 | BTK (0.48) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL161865 | 0.77 | BTK (0.48) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL13443916 | 0.77 | BTK (0.48) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL8272283 | 0.74 | SQOR (0.60) | BTKCYP1A2ALDH1A1NR1I3CYP3A4 | |
| SCHEMBL21212034 | 0.74 | BTK (0.46) | BTKCYP1A2ALDH1A1CYP2C19NR1I3 | |
| SCHEMBL2595823 | 0.74 | BACE1 (0.52) | CYP1A2ALDH1A1BACE1CYP3A4PDPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183411-B2 | Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-02-27 | — | — | US | disclosed |
| US-6939874-B2 | Substituted pyrimidinyl derivatives and methods of use | AMGEN INC. (US) | 2005-09-06 | — | — | US | disclosed |
| US-20040157865-A1 | Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-08-12 | — | — | US | disclosed |
| EP-1427421-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | Amgen Inc. (US) | 2004-06-16 | — | — | EP | disclosed |
| US-20040063705-A1 | Substituted pyrimidinyl derivatives and methods of use | AMGEN INC. | 2004-04-01 | — | — | US | disclosed |
| WO-2004007459-A2 | NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-01-22 | — | — | WO | disclosed |
| WO-2003018021-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | AMGEN INC. (US) | 2003-03-06 | — | — | 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 (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-20040063705-A1 | Substituted pyrimidinyl derivatives and methods of use | DPYD, TYMP, TPMT | BTK 284/4885CYP1A2 208/4885ALDH1A1 433/4885 |
| US-20040157865-A1 | Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor | OPRL1, VRK1, OPRK1 | BTK 2273/4885CYP1A2 724/4885ALDH1A1 1345/4885 |
“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.