Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PRKX | P51817 | 1/20 | 0.44 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3613003 | 0.85 | MTNR1A (0.49) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL6161768 | 0.83 | NPC1 (0.49) | SMN1; SMN2NPC1RAB9AEPHX2GPR139 | |
| SCHEMBL5866425 | 0.83 | NPC1 (0.49) | SMN1; SMN2NPC1RAB9AEPHX2GPR139 | |
| SCHEMBL31530566 | 0.83 | NPC1 (0.73) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL1983010 | 0.82 | NPC1 (0.63) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL14361142 | 0.82 | MTNR1A (0.67) | SMN1; SMN2GAAMTNR1AMTNR1B | |
| SCHEMBL8597116 | 0.81 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL6203013 | 0.81 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL1924138 | 0.79 | NPC1 (0.59) | SMN1; SMN2NPC1RAB9AEPHX2GAA | |
| SCHEMBL1986644 | 0.77 | NPC1 (0.56) | SMN1; SMN2NPC1RAB9AEPHX2GAA |
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-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |