Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.36 |
| ▸ | TACR2 | P21452 | 4/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 SCHEMBL7749101 | 0.99 | TACR1 (0.36) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| SCHEMBL7764281 | 0.82 | CCR5 (0.46) | TACR1TACR2TACR3 | |
| SCHEMBL4631689 | 0.81 | TACR1 (0.35) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| SCHEMBL8991942 | 0.81 | TACR1 (0.53) | TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL8016030 | 0.81 | TACR1 (0.35) | TACR1TACR2TACR3SLC6A4 | |
| SCHEMBL4630713 | 0.81 | TACR1 (0.39) | TACR1TACR2TACR3CYP2D6 | |
| Water SCHEMBL8840276 | 0.81 | CCR5 (0.46) | TACR1TACR2TACR3 | |
| Water SCHEMBL7744617 | 0.80 | TACR1 (0.34) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| SCHEMBL4630773 | 0.80 | TACR1 (0.38) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| Water SCHEMBL8840295 | 0.80 | TACR1 (0.52) | TACR1TACR2TACR3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1923391-A1 | Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. | sanofi-aventis (FR) | 2008-05-21 | — | — | EP | disclosed |
| EP-1688416-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | Sanofi-Aventis (FR) | 2006-08-09 | — | — | EP | disclosed |
| EP-1340754-A1 | Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-1156049-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2001-11-21 | — | — | EP | disclosed |
| EP-0807111-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023787-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1996-08-08 | — | — | WO | disclosed |