Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.60 |
| ▸ | F10 | P00742 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.56 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.53 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | TYMS | P04818 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5254736 | 1.00 | CHRNA7 (0.60) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL5257993 | 0.91 | SMYD3 (0.54) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL24950457 | 0.81 | SMYD3 (0.67) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL5257234 | 0.80 | CHRNA7 (0.48) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL6834634 | 0.80 | CHRNA7 (0.48) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL6834935 | 0.80 | CHRNA7 (0.48) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL6834932 | 0.78 | CHRNA7 (0.46) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL14368756 | 0.77 | CHRNA7 (0.57) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL6840603 | 0.77 | CTSK (0.47) | CHRNA7F10KDM4EALDH1A1HPGD | |
| SCHEMBL5404931 | 0.77 | ROCK2 (0.54) | MAPK14TYMS |
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 |