Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657991 | 0.89 | CYP3A4 (0.38) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL7651191 | 0.89 | RARA (0.35) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8659868 | 0.87 | CYP3A4 (0.32) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8661287 | 0.86 | SMN1; SMN2 (0.33) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8659621 | 0.86 | CYP3A4 (0.42) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8661009 | 0.85 | CYP3A4 (0.46) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8846374 | 0.84 | FDFT1 (0.42) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8662240 | 0.83 | CYP3A4 (0.54) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8659605 | 0.82 | RARA (0.41) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL8663075 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750693-A | THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS | ALLERGAN (US) | 1998-05-12 | — | — | US | disclosed |
| US-5677451-A | CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |