Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.50 |
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CDC42 | P60953 | 1/20 | 0.42 |
| ▸ | RAC1 | P63000 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616117 | 0.82 | ABCB11 (0.46) | GSTP1CASRHSD17B1HSD17B2AKR1C3 | |
| SCHEMBL9825040 | 0.82 | CYP1A2 (0.43) | GSTP1CASRHSD17B1HSD17B2AKR1C3 | |
| SCHEMBL12019842 | 0.76 | CYP11B2 (0.67) | GSTP1HSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL9825972 | 0.75 | AKR1C3 (0.41) | CASRAKR1C3AKR1C2CYP1A2PTGS2 | |
| SCHEMBL9825472 | 0.75 | AKR1C3 (0.46) | GSTP1AKR1C3AKR1C2CYP11B1CYP11B2 | |
| SCHEMBL12031839 | 0.75 | CYP11B2 (0.65) | GSTP1HSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL26378182 | 0.74 | APP (0.61) | CASRAKR1C3AKR1C2CYP1A2CYP3A4 | |
| SCHEMBL29365195 | 0.74 | ABCB11 (0.65) | AKR1C3AKR1C2CYP1A2CYP2C9ABCB11 | |
| SCHEMBL30640494 | 0.74 | ABCB11 (0.65) | AKR1C3AKR1C2CYP1A2CYP2C9ABCB11 | |
| SCHEMBL487168 | 0.74 | ABCB11 (0.65) | AKR1C3AKR1C2CYP1A2CYP2C9ABCB11 |
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-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |