Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11260988 | 0.83 | BRD4 (0.50) | BRD4KDM4EOPRK1CYP17A1MEN1 | |
| SCHEMBL29955694 | 0.82 | CYP2D6 (0.44) | BRD4KDM4EOPRK1ALDH1A1MAPK1 | |
| SCHEMBL11335494 | 0.72 | CYP19A1 (0.40) | CYP19A1KDM4EOPRK1ALDH1A1KMT2A | |
| SCHEMBL2559545 | 0.71 | HSD17B10 (0.51) | KDM4EMEN1ALDH1A1MAPTMAPK1 | |
| SCHEMBL23965866 | 0.69 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL2085218 | 0.69 | ATM (0.48) | MEN1ALDH1A1CYP3A4KMT2AGAA | |
| SCHEMBL11330557 | 0.69 | CYP19A1 (0.40) | CYP19A1KDM4EOPRK1CYP17A1MEN1 | |
| SCHEMBL1606039 | 0.69 | CYP17A1 (0.53) | CYP19A1BRD4OPRK1CYP17A1MEN1 | |
| SCHEMBL11335498 | 0.69 | MGLL (0.38) | CYP19A1KDM4EOPRK1CYP17A1MEN1 | |
| SCHEMBL2556179 | 0.68 | BRD4 (0.31) | BRD4MEN1ALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5604224-A | NEURODEGENERATIVE DISORDERS | STERLING WINTHROP INC. (US) | 1997-02-18 | — | — | US | disclosed |
| US-5569655-A | Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1996-10-29 | — | — | US | disclosed |
| EP-0647641-A1 | Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof | STERLING WINTHROP INC. (US) | 1995-04-12 | — | — | EP | disclosed |