Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8880188 | 0.84 | OPRM1 (0.41) | KCNN4CYP2D6CYP1A2GRIN2DGRIN1 | |
| SCHEMBL8939167 | 0.81 | KCNN4 (0.47) | KCNN4CYP2D6CYP1A2GRIN2DGRIN1 | |
| SCHEMBL8939190 | 0.77 | KCNN4 (0.44) | KCNN4CYP2D6CYP1A2GRIN2DGRIN1 | |
| SCHEMBL22312943 | 0.75 | GRIN1 (0.72) | CYP2D6GRIN2DGRIN1GRIN2AGRIN2B | |
| SCHEMBL13828216 | 0.74 | OPRM1 (0.55) | KCNN4CYP1A2GRIN2DGRIN1GRIN2A | |
| SCHEMBL8939171 | 0.73 | KCNN4 (0.47) | KCNN4CYP2D6CYP1A2GRIN2DGRIN1 | |
| SCHEMBL25341236 | 0.71 | CHRM3 (0.63) | CYP2D6GRIN2DGRIN1GRIN2AGRIN2B | |
| SCHEMBL8939158 | 0.71 | KCNN4 (0.48) | KCNN4CYP1A2OPRM1DRD3CYP2C19 | |
| SCHEMBL725762 | 0.71 | TRPA1 (0.58) | CYP2C19HIF1ALMNAALDH1A1NPC1 | |
| Benzene SCHEMBL27311002 | 0.71 | TRPA1 (0.58) | CYP2C19HIF1ALMNAALDH1A1NPC1 |
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-5532228-A | ANTITUMOR, PSORIASIS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |