Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | CSF1R | P07333 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.41 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258271 | 1.00 | SMYD3 (0.54) | SMYD3LCKCSF1RKDRMAPK14 | |
| SCHEMBL5260931 | 0.81 | AKT1 (0.44) | SMYD3LCKCSF1RKDRMAPK14 | |
| SCHEMBL5258190 | 0.80 | L3MBTL1 (0.51) | NAMPTTAS1R3TAS1R1TYMSTAS1R2 | |
| SCHEMBL6832675 | 0.80 | L3MBTL1 (0.51) | NAMPTTAS1R3TAS1R1TYMSTAS1R2 | |
| SCHEMBL5404931 | 0.77 | ROCK2 (0.54) | MAPK14AKT1TYMS | |
| SCHEMBL6829588 | 0.77 | HTR3A (0.62) | MAPK14TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5258295 | 0.77 | HTR3A (0.62) | MAPK14TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6832868 | 0.75 | CHRNA7 (0.60) | SMYD3MAPK14TAS1R3TAS1R1TYMS | |
| SCHEMBL5254736 | 0.75 | CHRNA7 (0.60) | SMYD3MAPK14TAS1R3TAS1R1TYMS | |
| SCHEMBL28148124 | 0.75 | SMYD3 (0.87) | SMYD3LCKCSF1RKDRMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |