Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.75 |
| ▸ | TACR2 | P21452 | 4/20 | 0.69 |
| ▸ | TACR3 | P29371 | 4/20 | 0.69 |
| ▸ | CCR5 | P51681 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8742817 | 0.99 | TACR1 (0.74) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7313003 | 0.87 | TACR1 (0.55) | TACR1TACR2TACR3 | |
| SCHEMBL7306896 | 0.86 | TACR1 (1.00) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL8742497 | 0.86 | TACR1 (0.54) | TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL7751634 | 0.86 | TACR1 (0.98) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8300817 | 0.85 | TACR1 (0.57) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL8592981 | 0.82 | TACR1 (0.51) | TACR1TACR2TACR3 | |
| SCHEMBL7844998 | 0.82 | TACR1 (1.00) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8292835 | 0.80 | TACR1 (0.56) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4631684 | 0.79 | TACR1 (0.67) | TACR1TACR2TACR3CCR5 |
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 |