Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22474515 | 1.00 | DRD1 (0.39) | DRD1CYP3A4TDP1 | |
| SCHEMBL22474474 | 0.87 | DRD1 (0.42) | DRD1CYP3A4TDP1 | |
| SCHEMBL20822406 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL21703407 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL22474508 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL22474493 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL22474460 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL20988606 | 0.84 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL22474500 | 0.81 | DRD1 (0.40) | DRD1 | |
| SCHEMBL22474486 | 0.81 | DRD1 (0.40) | DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2876108-B1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) | 2020-09-30 | — | — | EP | disclosed |