Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.60 |
| ▸ | GABRP | O00591 | 1/20 | 0.57 |
| ▸ | GABRD | O14764 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.57 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.57 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.57 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.57 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.57 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.57 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.57 |
| ▸ | GABRE | P78334 | 1/20 | 0.57 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.57 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.57 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.57 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.57 |
| ▸ | TACR3 | P29371 | 10/20 | 0.48 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 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 | |
|---|---|---|---|---|
| SCHEMBL5741035 | 0.91 | TACR1 (0.57) | TACR1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5740755 | 0.87 | TACR1 (0.66) | TACR1TACR3 | |
| SCHEMBL5740693 | 0.86 | TACR1 (0.56) | TACR1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5740978 | 0.85 | TACR1 (0.55) | TACR1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5742325 | 0.82 | GABRP (0.54) | TACR1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5742326 | 0.82 | GABRP (0.54) | TACR1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5739710 | 0.81 | TACR1 (0.61) | TACR1TACR3 | |
| SCHEMBL11844102 | 0.81 | GABRP (0.67) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL5741798 | 0.79 | TACR1 (0.64) | TACR1 | |
| SCHEMBL11037113 | 0.78 | GABRP (0.73) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 8 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 |
| CN-1131212-C | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2003-12-17 | — | — | CN | 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 |
| CN-1341101-A | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-20 | — | — | CN | 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 16/4885GABRP 113/4885GABRD 673/4885 |
“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.