Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13648053 | 0.89 | EED (0.36) | SCN9ACDK2CDK4CCNE1AURKA | |
| SCHEMBL14489538 | 0.89 | TAAR1 (0.44) | IGF1RCDK2AURKACDK1PLK4 | |
| SCHEMBL13648061 | 0.85 | MAPK8 (0.41) | MAPK10ALDH1A1LMNATP53CYP1A2 | |
| SCHEMBL13648065 | 0.85 | APOBEC3A (0.42) | AURKAALDH1A1ALOX15MAPK1HSD17B10 | |
| SCHEMBL13648063 | 0.83 | MAPT (0.37) | EEDMAPK10EGFRALDH1A1TP53 | |
| SCHEMBL13648066 | 0.83 | SLC2A1 (0.41) | CDK2CDK4CCNE1CDK1CDK9 | |
| SCHEMBL13647859 | 0.75 | CDC7 (0.39) | CDK2CDK4CDK9MAPK10LMNA | |
| SCHEMBL13513952 | 0.75 | SYK (0.36) | CDK2CDK4CCNE1AURKACDK1 | |
| SCHEMBL13647850 | 0.75 | POLB (0.39) | CDK2CCNE1AURKACDK1NPC1 | |
| SCHEMBL13647855 | 0.74 | TNK2 (0.36) | CDK2CDK4MAPK10CYP2D6MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598245-B2 | Aminotriazole compounds useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-06 | — | — | US | disclosed |
| US-7226920-B2 | Aminotriazole compounds useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INC. (US) | 2007-06-05 | — | — | US | disclosed |