Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.34 |
| ▸ | 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 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL7749122 | 0.98 | TACR1 (0.34) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL4631689 | 0.90 | TACR1 (0.35) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| Water SCHEMBL7744617 | 0.89 | TACR1 (0.34) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL4630794 | 0.81 | HSD11B1 (0.34) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7750338 | 0.80 | ADRB2 (0.34) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL4630723 | 0.80 | ADRB2 (0.36) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL4630773 | 0.79 | TACR1 (0.38) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| Water SCHEMBL7750307 | 0.79 | ADRB2 (0.34) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL4631303 | 0.79 | SIRT2 (0.37) | TACR1ALDH1A1CYP3A4CYP2D6SMN1; SMN2 | |
| Water SCHEMBL7750351 | 0.79 | ADRB2 (0.37) | ALDH1A1CYP3A4CYP2D6SMN1; SMN2 |
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 |