Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8590896 | 0.88 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8296076 | 0.80 | TACR2 (0.44) | — | |
| SCHEMBL8296260 | 0.78 | TACR3 (0.44) | SLC6A4SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL8349876 | 0.76 | TACR2 (0.46) | CYP2D6CYP3A4 | |
| SCHEMBL8300790 | 0.73 | EPHX2 (0.51) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL8355600 | 0.73 | TACR2 (0.50) | — | |
| SCHEMBL5677572 | 0.72 | TACR2 (0.49) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL8591901 | 0.67 | OPRD1 (0.46) | — | |
| SCHEMBL8953862 | 0.67 | TACR2 (0.54) | — | |
| SCHEMBL8593224 | 0.67 | TACR2 (0.44) | — |
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 4 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-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 |