Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL186587 | 0.98 | DPP4 (0.42) | SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B | |
| SCHEMBL18297676 | 0.89 | OPRM1 (0.39) | OPRM1DPP4 | |
| SCHEMBL7214379 | 0.79 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3OPRM1 | |
| SCHEMBL14610968 | 0.79 | OPRM1 (0.55) | SLC6A4KCNH2OPRM1 | |
| SCHEMBL181145 | 0.78 | NPC1 (0.55) | OPRM1OPRD1 | |
| SCHEMBL18768887 | 0.78 | NPC1 (0.55) | OPRM1OPRD1 | |
| SCHEMBL19249603 | 0.78 | NPC1 (0.55) | OPRM1OPRD1 | |
| SCHEMBL6931655 | 0.78 | AKR1C1 (0.45) | SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B | |
| SCHEMBL28545379 | 0.78 | CYP2C9 (0.38) | SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL7450867 | 0.76 | AKR1C1 (0.47) | SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593997-A1 | Fluor substituted phenyl-cyclohexyl acetylenes and liquid crystals mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1994-04-27 | — | — | EP | disclosed |