Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.55 |
| ▸ | TACR2 | P21452 | 14/20 | 0.52 |
| ▸ | TACR3 | P29371 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 SCHEMBL8742497 | 0.99 | TACR1 (0.54) | TACR1TACR2TACR3CYP3A4CYP2D6 | |
| SCHEMBL8300343 | 0.87 | TACR1 (0.75) | TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL8742817 | 0.86 | TACR1 (0.74) | TACR1TACR2TACR3 | |
| SCHEMBL8300346 | 0.83 | TACR1 (0.45) | TACR1TACR2TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8742822 | 0.83 | TACR1 (0.45) | TACR1TACR2TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8592981 | 0.82 | TACR1 (0.51) | TACR1TACR2TACR3ALDH1A1MEN1 | |
| SCHEMBL8298555 | 0.81 | TACR1 (0.75) | TACR1TACR2TACR3KMT2A | |
| SCHEMBL667088 | 0.81 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2A | |
| SCHEMBL667773 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8742480 | 0.80 | TACR1 (0.74) | TACR1TACR2TACR3KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0673928-B1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI SYNTHELABO (FR) | 2001-08-29 | — | — | EP | disclosed |
| 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 |
| 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 |