Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.65 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | TACR3 | P29371 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27467085 | 0.84 | TACR1 (0.56) | TACR1TACR3L3MBTL1CYP3A4 | |
| SCHEMBL5740625 | 0.79 | TACR1 (0.69) | TACR1TACR3CYP3A4 | |
| SCHEMBL5740755 | 0.77 | TACR1 (0.66) | TACR1TACR3CYP3A4 | |
| SCHEMBL5741613 | 0.76 | TACR1 (0.65) | TACR1TACR3CYP3A4 | |
| SCHEMBL5741964 | 0.76 | TACR1 (0.65) | TACR1TACR3CYP3A4 | |
| SCHEMBL6862826 | 0.75 | TACR1 (0.77) | TACR1CYP3A4 | |
| SCHEMBL6862560 | 0.74 | TACR1 (0.73) | TACR1TACR3 | |
| SCHEMBL5741984 | 0.74 | TACR1 (0.64) | TACR1HTR6TACR3CYP3A4 | |
| SCHEMBL6867420 | 0.74 | TACR1 (0.73) | TACR1TACR3 | |
| SCHEMBL5739710 | 0.73 | TACR1 (0.61) | TACR1TACR3 |
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 | TACR1 16/4885HTR6 766/4885TACR3 145/4885 |
“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.