Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 11/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | TACR2 | P21452 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382015 | 0.89 | TACR3 (0.50) | CYP2C19ALDH1A1TACR3TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL3906709 | 0.88 | TACR3 (0.49) | CYP2C19ALDH1A1TACR3TACR1TACR2 | |
| Fumaric Acid SCHEMBL3896093 | 0.86 | TACR3 (0.51) | CYP2C19ALDH1A1TACR3TACR1TACR2 | |
| Fumaric Acid SCHEMBL3896097 | 0.86 | TACR3 (0.51) | CYP2C19ALDH1A1TACR3TACR1TACR2 | |
| SCHEMBL1381888 | 0.82 | TACR1 (0.52) | TACR3TACR1TACR2 | |
| SCHEMBL1381258 | 0.81 | TACR3 (0.52) | TACR3TACR1TACR2 | |
| SCHEMBL1381405 | 0.81 | TACR2 (0.50) | TACR3TACR1TACR2 | |
| SCHEMBL1382630 | 0.80 | TACR2 (0.57) | CYP2C19ALDH1A1TACR3TACR1TACR2 | |
| SCHEMBL3911078 | 0.80 | TACR3 (0.52) | TACR3TACR1TACR2 | |
| SCHEMBL3896095 | 0.79 | TACR3 (0.42) | CYP2C19ALDH1A1TACR3TACR1TACR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2131842-A2 | USE OF A COMPOUND ANTAGONIST TO THE NK-2-RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION | Sanofi-Aventis (FR) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008110697-A2 | USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION | SANOFI-AVENTIS (FR) | 2008-09-18 | — | — | WO | disclosed |