Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875869 | 0.94 | TDP1 (0.47) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6878351 | 0.90 | CYP1A2 (0.42) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6880246 | 0.88 | CYP1A2 (0.40) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6883258 | 0.87 | CYP1A2 (0.42) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6871114 | 0.87 | CYP1A2 (0.40) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6881040 | 0.85 | MAPT (0.49) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6016396 | 0.85 | PDE4B (0.38) | MAPTCYP1A2CYP2C19CYP2C9MEN1 | |
| SCHEMBL6875873 | 0.83 | CYP1A2 (0.51) | TDP1MAPTCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6016578 | 0.81 | TP53 (0.38) | MAPTMEN1KMT2ANPSR1NPC1 | |
| SCHEMBL6016454 | 0.81 | TP53 (0.36) | MAPTCYP1A2CYP2C19CYP2C9MEN1 |
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 | TDP1 3804/4885MAPT 4715/4885CYP1A2 885/4885 |
“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.