Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.45 |
| ▸ | TACR2 | P21452 | 9/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 SCHEMBL8742822 | 0.99 | TACR1 (0.45) | TACR1TACR2MEN1ALDH1A1LMNA | |
| SCHEMBL8300821 | 0.84 | SLC6A4 (0.37) | TACR1TACR2CYP2D6 | |
| SCHEMBL7313003 | 0.83 | TACR1 (0.55) | TACR1TACR2MEN1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL8742497 | 0.82 | TACR1 (0.54) | TACR1TACR2MEN1ALDH1A1LMNA | |
| SCHEMBL8292836 | 0.79 | TACR2 (0.34) | TACR1TACR2TACR3CYP2D6 | |
| SCHEMBL8300343 | 0.77 | TACR1 (0.75) | TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL8742817 | 0.77 | TACR1 (0.74) | TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL8592981 | 0.74 | TACR1 (0.51) | TACR1TACR2MEN1ALDH1A1LMNA | |
| SCHEMBL8300818 | 0.73 | CCR5 (0.43) | TACR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8521991 | 0.72 | CCR5 (0.42) | TACR1ALDH1A1 |
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 |