Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6012664 | 0.75 | CYP3A4 (0.35) | CYP3A4TDP1DRD1 | |
| SCHEMBL28568442 | 0.75 | ALDH1A1 (0.41) | TDP1KDM4EGAA | |
| SCHEMBL28765143 | 0.72 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL30350108 | 0.72 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL1768461 | 0.71 | TDP1 (0.42) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL1120987 | 0.69 | CYP3A4 (0.58) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL25181254 | 0.69 | NPC1 (0.32) | — | |
| Water SCHEMBL1131752 | 0.68 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Bromide SCHEMBL8660152 | 0.68 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL31059891 | 0.68 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011061439-A1 | CATALYTIC PHOSPHINATION METHOD | UNIVERSITE DE STRASBOURG (FR) | 2011-05-26 | — | — | WO | disclosed |