Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 11/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18878403 | 0.81 | NPC1 (0.47) | NPC1GRM4RXRAGRIN1GRIN2B | |
| SCHEMBL21064022 | 0.78 | RXRA (0.36) | NPC1GRM4RXRAGRIN1GRIN2B | |
| SCHEMBL26054257 | 0.73 | NPC1 (0.47) | NPC1GRM4RXRAGRIN1GRIN2B | |
| SCHEMBL27498530 | 0.70 | EPHX2 (0.63) | NPC1RXRAGRIN1GRIN2BEPHX2 | |
| SCHEMBL2609429 | 0.69 | RXRA (0.41) | RXRAGRIN1GRIN2BMTORKAT6A | |
| SCHEMBL25015837 | 0.69 | EPHX2 (0.54) | NPC1RXRAGRIN1GRIN2BEPHX2 | |
| SCHEMBL2609427 | 0.68 | KDM5B (0.48) | RXRAGRIN1GRIN2BKCNT1NOTUM | |
| SCHEMBL21478371 | 0.68 | RXRA (0.44) | RXRAGRIN1GRIN2B | |
| SCHEMBL2609426 | 0.68 | CFTR (0.43) | NPC1 | |
| SCHEMBL21146830 | 0.68 | GCGR (0.34) | RXRAGRIN1GRIN2BMTORNOTUM |
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-9951074-B2 | Dihydropteridinone derivatives and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-04-24 | — | — | US | disclosed |