Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NPR3 | P17342 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL311587 | 1.00 | ITGA4 (0.46) | ITGA4ITGB7ABCB1KCNA5ALDH1A1 | |
| SCHEMBL29527061 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL24420260 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL29107633 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL312143 | 0.80 | ITGA4 (0.47) | ITGA4ITGB7ALDH1A1 | |
| SCHEMBL2061998 | 0.75 | KCNA5 (0.54) | KCNA5ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL14195536 | 0.74 | ITGB3 (0.43) | ITGA4ITGB7ABCB1NPSR1NPR3 | |
| SCHEMBL14176788 | 0.73 | NR1H4 (0.46) | — | |
| SCHEMBL8849130 | 0.73 | ITGA4 (0.52) | ITGA4ITGB7ALDH1A1NPSR1 | |
| SCHEMBL11394616 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDRCE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2308845-A2 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |