Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 10/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | HSD3B2 | P26439 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 6/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631303 | 0.88 | SIRT2 (0.37) | CYP2C9CYP3A4CYP2C19SIRT2SIRT1 | |
| SCHEMBL7750393 | 0.86 | ADRB2 (0.39) | HSD11B1CYP2C9CYP3A4CYP2C19HSD3B2 | |
| SCHEMBL4631764 | 0.84 | CYP2D6 (0.36) | HSD11B1CYP2C9CYP3A4CYP2C19SIRT2 | |
| SCHEMBL4631741 | 0.83 | SIRT2 (0.37) | CYP2C9CYP3A4CYP2C19SIRT2SIRT1 | |
| SCHEMBL4630794 | 0.81 | HSD11B1 (0.34) | HSD11B1CYP2C9CYP3A4CYP2C19SIRT2 | |
| Hydrochloric Acid SCHEMBL7750338 | 0.80 | ADRB2 (0.34) | HSD11B1CYP2C9CYP3A4SIRT2SIRT1 | |
| SCHEMBL8456852 | 0.79 | TACR1 (0.33) | HSD11B1CYP2C9CYP3A4CYP2C19SIRT2 | |
| Water SCHEMBL7750307 | 0.79 | ADRB2 (0.34) | HSD11B1CYP2C9CYP3A4SIRT2SIRT1 | |
| SCHEMBL27397571 | 0.79 | USP2 (0.39) | CYP2C9CYP3A4CYP2C19USP2CYP1A2 | |
| SCHEMBL27392003 | 0.78 | USP2 (0.40) | CYP2C9CYP3A4CYP2C19USP2CYP1A2 |
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 14 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 |
| US-6242637-B1 | USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-06-05 | — | — | US | disclosed |
| US-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |
| US-5977359-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1999-11-02 | — | — | US | disclosed |
| EP-0915882-A1 | 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI (FR) | 1999-05-19 | — | — | EP | disclosed |
| US-5869663-A | INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1999-02-09 | — | — | US | disclosed |
| US-5780466-A | DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS | SANOFI (FR) | 1998-07-14 | — | — | US | disclosed |
| WO-1998004561-A1 | 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI (FR) | 1998-02-05 | — | — | WO | disclosed |
| EP-0807111-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1997-11-19 | — | — | EP | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |
| WO-1996023787-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1996-08-08 | — | — | WO | disclosed |