Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 10/20 | 0.43 |
| ▸ | CASP7 | P55210 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 8/20 | 0.40 |
| ▸ | USP2 | O75604 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883115 | 0.87 | SCN9A (0.47) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| Piperazine SCHEMBL6883092 | 0.86 | SCN9A (0.46) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6016593 | 0.83 | CASP1 (0.48) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| Methylpiperazine SCHEMBL6878843 | 0.80 | HRH4 (0.44) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16671809 | 0.77 | MEN1 (0.52) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6016700 | 0.77 | ALDH1A1 (0.39) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6016521 | 0.76 | ALDH1A1 (0.39) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16676723 | 0.75 | BTK (0.48) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL16670652 | 0.74 | BTK (0.48) | CYP1A2SCN9AHIF1AUSP2 | |
| SCHEMBL6872292 | 0.74 | HRH4 (0.49) | CASP1CASP7ALDH1A1CYP1A2CYP3A4 |
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 | CASP1 3537/4885CASP7 4574/4885ALDH1A1 1117/4885 |
“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.