Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PTGFR | P43088 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843144 | 1.00 | ITGB3 (0.39) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9842691 | 1.00 | ITGB3 (0.39) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9842508 | 0.96 | TP53 (0.36) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9842597 | 0.87 | HDAC4 (0.36) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9486874 | 0.86 | CYP3A4 (0.35) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9842585 | 0.85 | HDAC4 (0.41) | RARBRARARARGPPARGPPARA | |
| SCHEMBL9842600 | 0.85 | HDAC4 (0.41) | RARBRARARARGPPARGPPARA | |
| SCHEMBL9842790 | 0.84 | MEN1 (0.40) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9842432 | 0.84 | MEN1 (0.40) | ITGB3ITGA2BRARBRARARARG | |
| SCHEMBL9486460 | 0.84 | CYP3A4 (0.35) | ITGB3ITGA2BRARBRARARARG |
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-0413785-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. | MERCK PATENT GMBH (DE) | 1991-02-27 | — | — | EP | disclosed |
| WO-1990009420-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |