Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.59 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5022816 | 0.86 | CYP2D6 (1.00) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL24623215 | 0.86 | CYP2D6 (0.63) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL22632322 | 0.85 | MTNR1A (0.82) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL15984893 | 0.85 | KDM4E (0.71) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL9797535 | 0.83 | CYP2D6 (0.68) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL29975674 | 0.83 | CYP2D6 (0.68) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL6439485 | 0.83 | KDM4E (0.69) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL28381712 | 0.83 | KDM4E (0.64) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL6031499 | 0.83 | CYP2D6 (0.76) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL24623214 | 0.82 | MTNR1A (0.64) | CYP2D6KDM4EALDH1A1HPGDLCK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020223174-A1 | COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER | HEALTH RESEARCH, INC. (US) | 2020-11-05 | — | — | WO | disclosed |