Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9334037 | 0.93 | CYP1A1 (0.41) | RARBCYP1A1CYP1A2CYP1B1HSD17B10 | |
| SCHEMBL9337254 | 0.93 | RARB (0.43) | RARBCYP1A1CYP1A2CYP1B1RARA | |
| SCHEMBL9335534 | 0.91 | RARB (0.54) | RARBCYP1A1CYP1A2CYP1B1RARA | |
| SCHEMBL9337464 | 0.91 | RARB (0.54) | RARBCYP1A1CYP1A2CYP1B1RARA | |
| SCHEMBL10603849 | 0.87 | RARB (0.51) | RARBRARARARGMCL1HSD17B10 | |
| SCHEMBL9512294 | 0.87 | RARB (0.51) | RARBRARARARGMCL1HSD17B10 | |
| SCHEMBL9335290 | 0.85 | CYP1A1 (0.41) | RARBCYP1A1CYP1A2CYP1B1HSD17B10 | |
| SCHEMBL20202978 | 0.85 | RARB (0.50) | RARBRARARARGMCL1HSD17B10 | |
| SCHEMBL9335828 | 0.85 | FFAR1 (0.41) | RARBCYP1A1CYP1A2CYP1B1RARA | |
| SCHEMBL9334310 | 0.85 | RARB (0.47) | RARBCYP1A1CYP1A2CYP1B1RARA |
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-5328637-A | Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility | HOFFMANN-LA ROCHE INC. (US) | 1994-07-12 | — | — | US | disclosed |