Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30138990 | 1.00 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ALDH1A1ESR1 | |
| SCHEMBL14603699 | 0.98 | CYP3A4 (0.41) | CYP3A4TDP1DRD1ALDH1A1ESR1 | |
| SCHEMBL30138939 | 0.83 | CYP3A4 (0.50) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL1241093 | 0.82 | CYP3A4 (0.41) | CYP3A4TDP1DRD1ALDH1A1ESR1 | |
| SCHEMBL29141883 | 0.78 | TDP1 (0.41) | CYP3A4TDP1DRD1ALDH1A1ESR1 | |
| SCHEMBL12889878 | 0.77 | CYP3A4 (0.48) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL28906236 | 0.76 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL28902398 | 0.76 | LCK (0.41) | CYP3A4TDP1DRD1ALDH1A1KMT2A | |
| SCHEMBL17227511 | 0.73 | TDP1 (0.39) | CYP3A4TDP1DRD1ALDH1A1ESR1 | |
| SCHEMBL12446368 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ALDH1A1ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433227-A | Multidentate phosphine coordinated copper trihalo tri-type complex, and synthesis method and application thereof | 黑龙江大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-115433213-A | Aromatic phosphine copper complex, and synthesis method and application thereof | 黑龙江大学 | 2022-12-06 | — | — | CN | disclosed |
| EP-3150613-A1 | P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-04-05 | — | — | EP | disclosed |