Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL19009979 | 0.88 | CYP3A4 (0.46) | CYP3A4TDP1DRD1PDK2TOP1 | |
| SCHEMBL1768448 | 0.86 | CYP3A4 (0.48) | CYP3A4TDP1DRD1TOP1ESR1 | |
| SCHEMBL1768199 | 0.79 | TDP1 (0.41) | CYP3A4TDP1DRD1ESR1ESR2 | |
| SCHEMBL1768444 | 0.78 | CYP3A4 (0.39) | CYP3A4TDP1DRD1PDK2ESR1 | |
| SCHEMBL1768305 | 0.78 | MYC (0.41) | CYP3A4TDP1DRD1PDK2CA1 | |
| SCHEMBL29005861 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1DRD1TOP1ESR1 | |
| SCHEMBL29593649 | 0.77 | CYP3A4 (0.58) | CYP3A4TDP1DRD1TOP1ESR1 | |
| SCHEMBL1120987 | 0.77 | CYP3A4 (0.58) | CYP3A4TDP1DRD1TOP1ESR1 | |
| SCHEMBL30788458 | 0.76 | PDK2 (0.33) | TDP1PDK2CA1CA2CA7 | |
| Bromide SCHEMBL8660152 | 0.75 | CYP3A4 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2011061439-A1 | CATALYTIC PHOSPHINATION METHOD | UNIVERSITE DE STRASBOURG (FR) | 2011-05-26 | — | — | WO | disclosed |