Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL30138939 | 0.83 | CYP3A4 (0.50) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL13177945 | 0.79 | CYP3A4 (0.34) | CYP3A4TDP1DRD1 | |
| SCHEMBL12889878 | 0.77 | CYP3A4 (0.48) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL18686111 | 0.76 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL30138990 | 0.76 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL28906222 | 0.76 | CYP3A4 (0.38) | CYP3A4TDP1DRD1NPC1MAPT | |
| SCHEMBL14603699 | 0.74 | CYP3A4 (0.41) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL17227511 | 0.73 | TDP1 (0.39) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL12446368 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL29597288 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1DRD1ESR1ESR2 |
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-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 |