Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24921074 | 0.81 | CYP19A1 (0.39) | CYP19A1NOTUM | |
| SCHEMBL30212486 | 0.77 | KCNH2 (0.47) | KCNH2CYSLTR2CYSLTR1CYP19A1MAPT | |
| SCHEMBL30212206 | 0.77 | KCNH2 (0.54) | KCNH2CYSLTR2CYSLTR1CYP19A1MAPT | |
| SCHEMBL30212185 | 0.76 | CYP19A1 (0.43) | CYP19A1 | |
| SCHEMBL30212351 | 0.70 | KCNH2 (0.43) | KCNH2CYSLTR2CYSLTR1RAB9AGRM5 | |
| SCHEMBL1188120 | 0.70 | CYP19A1 (0.60) | CYP19A1NOTUMMAPTNPC1RAB9A | |
| SCHEMBL17898216 | 0.69 | KCNH2 (0.61) | KCNH2CYSLTR2CYSLTR1CYP19A1MAPT | |
| SCHEMBL20746692 | 0.69 | KCNH2 (0.61) | KCNH2CYSLTR2CYSLTR1MAPTNPC1 | |
| SCHEMBL28020279 | 0.67 | NOTUM (0.44) | CYP19A1NOTUM | |
| SCHEMBL30212517 | 0.66 | NPC1 (0.36) | KCNH2CYP19A1MAPTNPC1RAB9A |
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-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |