Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | METAP2 | P50579 | 2/20 | 0.33 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL14800451 | 0.70 | KDR (0.45) | ROCK2JAK2GSK3BAURKBPIM1 | |
| SCHEMBL8666610 | 0.64 | NOS1 (0.57) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL27998026 | 0.61 | MAPK1 (0.56) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL28708392 | 0.58 | GRIN2B (0.50) | DRD4SIGMAR1GRIN2BROCK2JAK2 | |
| SCHEMBL14738568 | 0.58 | MAPT (0.52) | ROCK2JAK2GSK3BAURKBMETAP2 | |
| SCHEMBL6585051 | 0.58 | ROCK2 (0.58) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL18136166 | 0.57 | ROCK2 (0.45) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL27995718 | 0.57 | NOS1 (0.55) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL8220180 | 0.57 | ROCK2 (0.54) | GRIN2BROCK2JAK2GSK3BAURKB | |
| SCHEMBL27885403 | 0.57 | MAPK1 (0.51) | DRD4SIGMAR1GRIN2BROCK2JAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760843-A2 | SELECTIVE NR2B ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013048949-A2 | SELECTIVE NR2B ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-04 | — | — | WO | disclosed |