Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 2/20 | 0.44 |
| ▸ | CCR2 | P41597 | 7/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.39 |
| ▸ | HEXA | P06865 | 1/20 | 0.39 |
| ▸ | HEXB | P07686 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6838172 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP1A2POLBTSHRHTT | |
| SCHEMBL23809172 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP1A2POLBTSHRHTT | |
| SCHEMBL18247738 | 0.82 | FDPS (0.49) | ALDH1A1CYP1A2POLBFDPSCCR2 | |
| SCHEMBL6750523 | 0.78 | ALDH1A1 (0.97) | ALDH1A1CYP1A2POLBTSHRHTT | |
| SCHEMBL689437 | 0.77 | MCL1 (0.56) | ALDH1A1CYP1A2POLBTSHRFDPS | |
| Hydrochloric Acid SCHEMBL3559968 | 0.76 | MCL1 (0.54) | ALDH1A1CYP1A2POLBTSHRFDPS | |
| SCHEMBL21683348 | 0.75 | FDPS (0.45) | ALDH1A1CYP1A2POLBFDPSCCR2 | |
| SCHEMBL6838506 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP1A2POLBTSHRHTT | |
| SCHEMBL23809286 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A2POLBTSHRHTT | |
| SCHEMBL6307741 | 0.71 | CCR2 (0.80) | CCR2 |
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 |