Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.41 |
| ▸ | TACR3 | P29371 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6871714 | 0.89 | TACR1 (0.43) | TACR1TACR3CYP3A4SCN9ACASP1 | |
| SCHEMBL5803599 | 0.89 | TACR1 (0.51) | TACR1TACR3CYP3A4 | |
| Piperazine SCHEMBL6881007 | 0.88 | TACR1 (0.51) | TACR1TACR3CYP3A4 | |
| SCHEMBL6872248 | 0.88 | TACR1 (0.43) | TACR1TACR3 | |
| Methylpiperazine SCHEMBL6871321 | 0.84 | TACR1 (0.58) | TACR1TACR3CYP3A4 | |
| Morpholine SCHEMBL6871709 | 0.82 | TACR1 (0.50) | TACR1TACR3CYP3A4 | |
| SCHEMBL5821598 | 0.80 | TACR1 (0.62) | TACR1TACR3CYP3A4 | |
| SCHEMBL6877500 | 0.80 | TACR1 (0.54) | TACR1TACR3CYP3A4SCN9A | |
| SCHEMBL6880373 | 0.78 | TACR1 (0.45) | TACR1TACR3 | |
| SCHEMBL5800489 | 0.77 | TACR1 (0.61) | TACR1TACR3CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6787539-B2 | HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) | HOFFMANN-LA ROCHE INC. | 2004-09-07 | — | — | US | disclosed |
| EP-1339698-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| US-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-07-25 | — | — | US | disclosed |
| WO-2002042280-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | 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-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | TACR1, TACR2, P2RY2 | TACR1 1/4885TACR3 81/4885CYP3A4 1190/4885 |
“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.