Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.44 |
| ▸ | CYP21A2 | P08686 | 7/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | CYP27B1 | O15528 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9489020 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL9489027 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL9489858 | 0.90 | ALDH1A1 (0.48) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL11468769 | 0.88 | HSP90AA1 (0.51) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL10564539 | 0.87 | ADRA1A (0.49) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL10564528 | 0.87 | ADRA1A (0.49) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL9458082 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL11079929 | 0.86 | HMOX1 (0.46) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL11079932 | 0.86 | HMOX1 (0.46) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 | |
| SCHEMBL11376508 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP19A1CYP21A2CYP17A1CYP11B1 |
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-5236944-A | C1-4 alkyl(4-(2-(4-C1-4-alkylphenyl)-2(1H-imidazol-1-ylmethyl) -1,3-dioxolan-4-ylemthlthio)phenyl)carbamate | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-08-17 | — | — | US | disclosed |