Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL191219 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C19POLBCYP2C9L3MBTL1 | |
| SCHEMBL26984232 | 0.77 | CYP1A2 (0.72) | CYP1A2CYP2C19POLBCYP2C9L3MBTL1 | |
| SCHEMBL8327252 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP2C19POLBCYP2C9L3MBTL1 | |
| SCHEMBL31523353 | 0.76 | BAZ2B (0.44) | CYP1A2MAPTP2RX3MEN1KMT2A | |
| SCHEMBL24769352 | 0.76 | BAZ2B (0.44) | CYP1A2MAPTP2RX3MEN1KMT2A | |
| SCHEMBL29574609 | 0.76 | BAZ2B (0.51) | CYP1A2CYP2C19CYP2C9MAPTMEN1 | |
| SCHEMBL3652621 | 0.76 | BAZ2B (0.51) | CYP1A2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL190973 | 0.76 | BAZ2B (0.51) | CYP1A2CYP2C19CYP2C9MAPTMEN1 | |
| SCHEMBL2255952 | 0.76 | PDE4B (0.56) | CYP1A2CYP2C19POLBCYP2C9L3MBTL1 | |
| SCHEMBL619012 | 0.75 | MAPT (0.56) | CYP1A2CYP2C19POLBCYP2C9L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1157006-B1 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | EP | disclosed |
| US-6596773-B2 | Central nervous system disorders | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |
| US-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BOS MICHAEL (CA) | 2002-08-15 | — | — | US | disclosed |
| US-6407111-B1 | SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |
| EP-1157006-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050398-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | 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-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BDKRB1, BAK1, PBK | CYP1A2 920/4885CYP2C19 752/4885POLB 3918/4885 |
“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.