Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 14/20 | 0.57 |
| ▸ | TACR1 | P25103 | 11/20 | 0.57 |
| ▸ | TACR3 | P29371 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6543240 | 0.98 | TACR2 (0.56) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8593203 | 0.95 | TACR2 (0.55) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6947096 | 0.92 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8559596 | 0.85 | TACR2 (0.46) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7954893 | 0.84 | HRH1 (0.55) | TACR2TACR1TACR3 | |
| SCHEMBL8291262 | 0.83 | CCR5 (0.51) | TACR2TACR1CCR5 | |
| SCHEMBL6543332 | 0.82 | TACR2 (0.64) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL4631714 | 0.82 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7132390 | 0.81 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6544551 | 0.81 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512901-B1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI SA (FR) | 1999-06-23 | — | — | EP | disclosed |
| US-5770735-A | Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present | ELF SANOFI (FR) | 1998-06-23 | — | — | US | disclosed |
| US-5625060-A | Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present | Sanofi, Elf (FR) | 1997-04-29 | — | — | US | disclosed |
| US-5340822-A | Substance P, neurokinin antagonists | ELF SANOFI (FR) | 1994-08-23 | — | — | US | disclosed |
| EP-0512901-A1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI (FR) | 1992-11-11 | — | — | EP | disclosed |