Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | GLP1R | P43220 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 7/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631194 | 0.88 | TACR1 (0.38) | ADRB2FPR1GPR183APLNRGLP1R | |
| SCHEMBL4630804 | 0.86 | HSD11B1 (0.37) | ADRB2FPR1GPR183APLNRGLP1R | |
| SCHEMBL4630131 | 0.86 | HSD11B1 (0.36) | CYP2C19CYP3A4CYP2C9TACR1HSD11B1 | |
| SCHEMBL4631763 | 0.85 | ADRB2 (0.36) | ADRB2FPR1GPR183APLNRGLP1R | |
| SCHEMBL4630844 | 0.84 | ADRB2 (0.37) | ADRB2FPR1GPR183APLNRGLP1R | |
| SCHEMBL27397571 | 0.82 | USP2 (0.39) | USP2HPGDCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4631313 | 0.81 | ADRB2 (0.37) | ADRB2FPR1GPR183APLNRGLP1R | |
| SCHEMBL4630854 | 0.81 | TACR1 (0.41) | TACR1 | |
| SCHEMBL27392003 | 0.80 | USP2 (0.40) | USP2HPGDCYP2C19CYP1A2CYP2D6 | |
| Water SCHEMBL7749198 | 0.80 | ADRB2 (0.38) | ADRB2FPR1GPR183APLNRGLP1R |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |