Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9028677 | 0.95 | TACR1 (0.41) | TACR1NPSR1TACR2KDM4EHRH3 | |
| SCHEMBL9028111 | 0.91 | TACR1 (0.42) | TACR1CYP2D6CYP2C19NPSR1TACR2 | |
| SCHEMBL9027860 | 0.90 | TACR1 (0.41) | TACR1TACR2KDM4EL3MBTL1HRH3 | |
| SCHEMBL9028327 | 0.88 | TACR1 (0.41) | TACR1TACR2HRH3HRH1 | |
| SCHEMBL9027893 | 0.86 | TACR1 (0.41) | TACR1TACR2KDM4EL3MBTL1HRH3 | |
| SCHEMBL9027525 | 0.86 | TACR1 (0.43) | TACR1NPSR1TACR2KDM4EHRH1 | |
| SCHEMBL9028158 | 0.85 | TACR1 (0.44) | TACR1TACR2HRH3HRH1 | |
| SCHEMBL9028179 | 0.85 | TACR1 (0.41) | TACR1TACR2HRH3HRH1 | |
| SCHEMBL9027969 | 0.85 | TACR1 (0.41) | TACR1TACR2HRH3HRH1 | |
| SCHEMBL9028147 | 0.85 | TACR1 (0.50) | TACR1TACR2MCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563133-A | NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0714891-A1 | Heterocyclic tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |