Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.45 |
| ▸ | CYP21A2 | P08686 | 15/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 15/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 14/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 13/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | CYP27B1 | O15528 | 1/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3679178 | 0.89 | CYP3A4 (0.51) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL15061371 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL15346509 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11452054 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11453136 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL1152603 | 0.78 | CYP3A4 (0.48) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| Nitric Acid SCHEMBL11465208 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL3671557 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11384457 | 0.76 | CYP3A4 (0.49) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11535810 | 0.76 | CYP3A4 (0.51) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 |
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-8475804-B2 | Compositions and methods for treatment of filovirus-mediated diseases | U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) | 2013-07-02 | — | — | US | disclosed |