Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663718 | 0.90 | DRD1 (0.42) | DRD1SIGMAR1CYP3A4TDP1CYP2C9 | |
| SCHEMBL29269 | 0.90 | DRD1 (0.42) | DRD1SIGMAR1CYP3A4TDP1CYP2C9 | |
| SCHEMBL10016849 | 0.88 | DRD1 (0.38) | DRD1SIGMAR1CYP3A4TSHRTDP1 | |
| SCHEMBL30586769 | 0.84 | DRD1 (0.38) | DRD1 | |
| SCHEMBL15222147 | 0.83 | DRD1 (0.38) | DRD1CYP3A4TDP1ALDH1A1 | |
| SCHEMBL15268226 | 0.82 | DRD1 (0.40) | DRD1CYP3A4TDP1 | |
| SCHEMBL15866604 | 0.79 | DRD1 (0.38) | DRD1 | |
| SCHEMBL31084186 | 0.79 | DRD1 (0.35) | DRD1TDP1ALDH1A1HCAR2 | |
| SCHEMBL31084193 | 0.79 | DRD1 (0.35) | DRD1TDP1ALDH1A1HCAR2 | |
| SCHEMBL17758768 | 0.79 | DRD1 (0.35) | 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 |
|---|---|---|---|---|---|---|---|
| CN-111484533-B | Chiral spiro phosphine-nitrogen-phosphine tridentate ligand and preparation method and application of iridium catalyst thereof | 浙江九洲药业股份有限公司 | 2022-05-06 | — | — | CN | disclosed |