Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 2/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL20980796 | 0.87 | CTSK (0.42) | TRPM8CASP3CASP6CASP8ATM | |
| SCHEMBL26623362 | 0.86 | CASP1 (0.43) | TRPM8CASP3CASP6CASP8CASP1 | |
| SCHEMBL5795425 | 0.86 | CASP1 (0.43) | TRPM8CASP3CASP6CASP8CASP1 | |
| SCHEMBL79910 | 0.86 | SYK (0.44) | TRPM8ITGB3ITGA2BCTSSCTSL | |
| SCHEMBL3213032 | 0.86 | SYK (0.44) | TRPM8ITGB3ITGA2BCTSSCTSL | |
| SCHEMBL79132 | 0.86 | SYK (0.44) | TRPM8ITGB3ITGA2BCTSSCTSL | |
| SCHEMBL17261863 | 0.80 | REN (0.43) | CASP3CASP6CASP8CTSKREN | |
| SCHEMBL4434235 | 0.79 | CTSD (0.44) | CASP3CASP6CASP8REN | |
| SCHEMBL625910 | 0.79 | CTSD (0.44) | CASP3CASP6CASP8REN | |
| SCHEMBL10073352 | 0.79 | CTSD (0.44) | CASP3CASP6CASP8REN |
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-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |