Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 16/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5255969 | 0.85 | GAA (0.41) | — | |
| SCHEMBL6838943 | 0.85 | GAA (0.41) | — | |
| SCHEMBL6834343 | 0.83 | HTR3A (0.50) | — | |
| SCHEMBL5256788 | 0.83 | HTR3A (0.50) | — | |
| SCHEMBL6834935 | 0.81 | CHRNA7 (0.48) | SMYD3MAPK14 | |
| SCHEMBL6834634 | 0.81 | CHRNA7 (0.48) | SMYD3MAPK14 | |
| SCHEMBL5257234 | 0.81 | CHRNA7 (0.48) | SMYD3MAPK14 | |
| SCHEMBL6829459 | 0.81 | SMYD3 (0.54) | AKT1SMYD3CDK2LCKCSF1R | |
| SCHEMBL5258271 | 0.81 | SMYD3 (0.54) | AKT1SMYD3CDK2LCKCSF1R | |
| SCHEMBL6382169 | 0.81 | TAS1R3 (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| 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 |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |