Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | RXFP2 | Q8WXD0 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5257234 | 1.00 | CHRNA7 (0.48) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL6834935 | 1.00 | CHRNA7 (0.48) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL6838485 | 0.93 | SMYD3 (0.43) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL5255323 | 0.93 | SMYD3 (0.43) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL6840603 | 0.83 | CTSK (0.47) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL6382169 | 0.82 | TAS1R3 (0.54) | TAS1R3TAS1R1CTSK | |
| SCHEMBL6382172 | 0.82 | TAS1R3 (0.54) | TAS1R3TAS1R1CTSK | |
| SCHEMBL5257232 | 0.82 | CHRNA7 (0.47) | CHRNA7F10SMYD3MAPK11MAPK14 | |
| SCHEMBL5345197 | 0.81 | NPC1 (0.39) | TAS1R3TAS1R1CTSK | |
| SCHEMBL5260931 | 0.81 | AKT1 (0.44) | SMYD3MAPK14 |
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-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |