Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | DBH | P09172 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL545298 | 0.83 | CA1 (0.61) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1338001 | 0.83 | KDM4E (0.52) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL30058625 | 0.83 | CA1 (0.61) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1390780 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL30683156 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL15827407 | 0.81 | CA6 (0.52) | CA1CA2CA4CA6MAPT | |
| SCHEMBL5071987 | 0.81 | CYP17A1 (0.59) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL13351455 | 0.80 | CA1 (0.64) | CYP3A4CYP19A1CA1CA2CA4 | |
| SCHEMBL14802026 | 0.79 | TAAR1 (0.48) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3267119 | 0.79 | ALOX15 (0.58) | CYP19A1MAPTKDM4EADRA2ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1409441-B1 | INDANE COMPOUNDS WITH NEGATIVE DIELECTRIC ANISOTROPY | MERCK PATENT GMBH (DE) | 2009-11-18 | — | — | EP | disclosed |
| US-6677382-B1 | HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS | PHARMACIA CORPORATION | 2004-01-13 | — | — | US | disclosed |