Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10509106 | 0.93 | CYP2A6 (0.34) | CYP2A6ACACBOPRM1OPRD1OPRK1 | |
| SCHEMBL10511088 | 0.93 | CYP2A6 (0.34) | CYP2A6ACACBOPRM1OPRD1OPRK1 | |
| SCHEMBL9855082 | 0.93 | CYP2A6 (0.34) | CYP2A6ACACBOPRM1OPRD1OPRK1 | |
| SCHEMBL9855442 | 0.93 | CYP2A6 (0.34) | CYP2A6ACACBOPRM1OPRD1OPRK1 | |
| SCHEMBL9855687 | 0.90 | ACACB (0.41) | ACACB | |
| SCHEMBL9855354 | 0.89 | HSD17B10 (0.40) | — | |
| SCHEMBL9855787 | 0.89 | HSD17B10 (0.40) | — | |
| SCHEMBL10512568 | 0.88 | HSD17B10 (0.39) | OPRL1 | |
| SCHEMBL9854922 | 0.88 | MEN1 (0.40) | ACACB | |
| SCHEMBL9854893 | 0.88 | TSHR (0.40) | ACACB |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |