Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.83 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL21734356 | 0.96 | DRD1 (0.74) | DRD1 | |
| SCHEMBL29359136 | 0.91 | DRD1 (1.00) | DRD1CYP3A4TDP1 | |
| SCHEMBL29351143 | 0.91 | DRD1 (1.00) | DRD1CYP3A4TDP1 | |
| SCHEMBL6953 | 0.91 | DRD1 (1.00) | DRD1CYP3A4TDP1 | |
| SCHEMBL25373924 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 | |
| SCHEMBL38656170 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 | |
| SCHEMBL15209802 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 | |
| Ammonia Solution, Strong SCHEMBL19127610 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 | |
| SCHEMBL17743663 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL29821183 | 0.90 | DRD1 (0.97) | DRD1CYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034477-A1 | POROUS ORGANIC CAGE LIGAND CONTAINING P AND N, PREPARATION THEREFOR AND USE THEREOF | 中国科学院大连化学物理研究所 | 2020-02-20 | — | — | WO | disclosed |
| WO-2020034476-A1 | POROUS ORGANIC CAGE LIGAND CONTAINING P AND N AND COMPLEX CATALYST AND APPLICATION | 中国科学院大连化学物理研究所 | 2020-02-20 | — | — | WO | disclosed |