Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28783891 | 0.83 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1652820 | 0.80 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL25199784 | 0.78 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1TSHR | |
| SCHEMBL2875874 | 0.77 | TDP1 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28392639 | 0.76 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL5568418 | 0.76 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Allylamine SCHEMBL29191439 | 0.76 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL28986930 | 0.74 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL28389801 | 0.74 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL28395471 | 0.74 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E |
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-110845343-B | Method for synthesizing primary amine by ruthenium catalysis | 南方科技大学 | 2023-04-21 | — | — | CN | disclosed |