Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 15/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878169 | 0.95 | PDE5A (0.49) | PDE5ATRPA1 | |
| Methylpiperazine SCHEMBL6877079 | 0.81 | HTR1A (0.41) | LCKJAK3BTKTNK2 | |
| SCHEMBL6871144 | 0.76 | THRB (0.50) | — | |
| SCHEMBL6868620 | 0.76 | TACR1 (0.54) | PDE5ATRPA1 | |
| SCHEMBL6872987 | 0.76 | MAPT (0.43) | — | |
| SCHEMBL5803607 | 0.75 | HTR1A (0.46) | — | |
| Methylpiperazine SCHEMBL6883204 | 0.75 | HTR1A (0.46) | JAK3 | |
| SCHEMBL5800464 | 0.74 | LCK (0.45) | LCKJAK3BTKTNK2 | |
| SCHEMBL6872467 | 0.73 | THRB (0.46) | — | |
| Methylpiperazine SCHEMBL6876077 | 0.72 | HTT (0.41) | — |
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 | PDE5A 4034/4885LCK 706/4885JAK3 958/4885 |
“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.