Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 4/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8872581 | 0.84 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30189722 | 0.82 | RPS6KA3 (0.37) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL19776303 | 0.82 | MAPKAPK2 (0.37) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18739611 | 0.82 | RPS6KA3 (0.37) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL19776307 | 0.81 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL4149538 | 0.76 | TNKS2 (0.41) | HSD17B10PARP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL13723653 | 0.74 | ADORA3 (0.44) | PARP1CYP1A2CYP2C19TNKS2ALDH1A1 | |
| SCHEMBL19776467 | 0.74 | RPS6KA3 (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL4297906 | 0.73 | AURKA (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL12629417 | 0.71 | KDM5A (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |