Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.46 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | TERT | O14746 | 1/20 | 0.41 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL144537 | 0.94 | CYP3A4 (0.65) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL15026691 | 0.82 | CYP3A4 (0.50) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL56777 | 0.82 | CYP3A4 (0.84) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL21764573 | 0.80 | CYP3A4 (0.47) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL6271797 | 0.80 | CYP3A4 (0.75) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL258318 | 0.80 | CYP3A4 (0.80) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL21439847 | 0.80 | CYP3A4 (0.80) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL258275 | 0.80 | CYP3A4 (0.80) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL20483847 | 0.80 | CYP3A4 (0.80) | CYP3A4TSHRLPAR3LPAR2LPAR1 | |
| SCHEMBL22230793 | 0.80 | CYP3A4 (0.80) | CYP3A4TSHRLPAR3LPAR2LPAR1 |
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-6794528-B2 | HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-21 | — | — | US | claimed |