Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303290 | 0.90 | CYP3A4 (0.35) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9304071 | 0.89 | RARA (0.44) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302600 | 0.89 | CYP26A1 (0.33) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9301562 | 0.85 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2MAPTRXFP1 | |
| SCHEMBL9303247 | 0.84 | CYP3A4 (0.35) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9302667 | 0.83 | KMT2A (0.40) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9817762 | 0.82 | MAPT (0.35) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9301489 | 0.81 | PTGER4 (0.36) | — | |
| SCHEMBL1078963 | 0.79 | CYP3A4 (0.60) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL9817664 | 0.79 | HPGD (0.35) | CYP3A4RARARARBRARGKMT2A |
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-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | claimed |