Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5114765 | 0.88 | CYP1A2 (0.78) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6871818 | 0.87 | CYP1A2 (0.67) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6872284 | 0.85 | MEN1 (0.54) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| Orthocresol SCHEMBL6881570 | 0.83 | CYP1A2 (0.71) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6880252 | 0.81 | ALDH1A1 (0.60) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL5118598 | 0.81 | CYP1A2 (0.73) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| Orthocresol SCHEMBL6871317 | 0.80 | CYP1A2 (0.51) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL5114750 | 0.77 | CYP1A2 (0.72) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL5111739 | 0.77 | CYP1A2 (0.75) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6877246 | 0.77 | ALDH1A1 (0.52) | CYP1A2POLBCYP2C9CYP2C19L3MBTL1 |
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 | CYP1A2 885/4885POLB 3098/4885CYP2C9 1532/4885 |
“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.