Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2177883 | 0.73 | P2RX7 (0.37) | HSP90AA1ALDH1A1KDM4E | |
| SCHEMBL2177879 | 0.73 | P2RX7 (0.37) | HSP90AA1ALDH1A1KDM4E | |
| SCHEMBL28186485 | 0.73 | XIAP (0.36) | ALDH1A1KDM4E | |
| SCHEMBL310530 | 0.70 | — | — | |
| SCHEMBL21031336 | 0.70 | — | — | |
| SCHEMBL20567997 | 0.70 | — | — | |
| SCHEMBL11331607 | 0.70 | — | — | |
| SCHEMBL28853263 | 0.70 | SLC7A5 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL28186497 | 0.70 | POLB (0.33) | ALDH1A1KDM4E | |
| SCHEMBL16671626 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101600720-A | Phosphoinositide 3-kinase inhibitor compounds and using method | HOFFMANN LA ROCHE (CH) | 2009-12-09 | — | — | CN | disclosed |