Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 13/20 | 0.61 |
| ▸ | TACR1 | P25103 | 9/20 | 0.61 |
| ▸ | TACR2 | P21452 | 8/20 | 0.61 |
| ▸ | CCR5 | P51681 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 SCHEMBL7750105 | 0.99 | TACR3 (0.60) | TACR3TACR1TACR2CCR5CYP3A4 | |
| SCHEMBL4630805 | 0.96 | TACR1 (0.56) | TACR3TACR1TACR2CCR5 | |
| Hydrochloric Acid SCHEMBL7751941 | 0.95 | TACR1 (0.56) | TACR3TACR1TACR2CCR5 | |
| SCHEMBL4631684 | 0.87 | TACR1 (0.67) | TACR3TACR1TACR2CCR5CYP3A4 | |
| Hydrochloric Acid SCHEMBL7750278 | 0.85 | TACR1 (0.65) | TACR3TACR1TACR2CCR5CYP3A4 | |
| Hydrochloric Acid SCHEMBL7750281 | 0.85 | TACR1 (0.65) | TACR3TACR1TACR2CCR5CYP3A4 | |
| SCHEMBL4630836 | 0.82 | TACR3 (0.58) | TACR3TACR1TACR2CCR5 | |
| SCHEMBL4765370 | 0.82 | TACR1 (0.75) | TACR3TACR1TACR2CCR5 | |
| Hydrochloric Acid SCHEMBL7744611 | 0.81 | TACR3 (0.57) | TACR3TACR1TACR2CCR5 | |
| SCHEMBL8775628 | 0.81 | SIGMAR1 (0.54) | TACR3TACR1TACR2CCR5 |
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 5 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 |
| WO-1996023787-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1996-08-08 | — | — | WO | disclosed |