Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.48 |
| ▸ | HTR1B | P28222 | 3/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL29968769 | 0.86 | SIGMAR1 (0.43) | KCNA5SIGMAR1GRM2 | |
| SCHEMBL22837810 | 0.83 | LSS (0.50) | HTR1BCYP2D6CYP2C19 | |
| SCHEMBL29969134 | 0.83 | LSS (0.50) | HTR1BCYP2D6CYP2C19 | |
| SCHEMBL6803 | 0.81 | CYP2C19 (0.56) | CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29379587 | 0.81 | CYP2C19 (0.56) | CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL19597644 | 0.80 | KCNA5 (0.47) | HTR1BKCNA5KCNH2CYP2D6KCNE1 | |
| SCHEMBL7219765 | 0.80 | ALDH1A1 (0.47) | KCNA5SIGMAR1CYP2D6KCNE1 | |
| SCHEMBL423447 | 0.79 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL1268914 | 0.79 | NPC1 (0.44) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 | |
| SCHEMBL29582311 | 0.79 | NPC1 (0.44) | KCNA5KCNH2CYP2D6KCNE1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010130424-A1 | 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-11-18 | — | — | WO | disclosed |