Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30138955 | 1.00 | TDP1 (0.44) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL28906222 | 0.85 | CYP3A4 (0.38) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL28902398 | 0.85 | LCK (0.41) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL56425 | 0.81 | CA1 (0.50) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL19009974 | 0.80 | CYP3A4 (0.37) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL1042656 | 0.80 | TUBB4A (0.42) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL8459532 | 0.79 | CA1 (0.48) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL23590191 | 0.78 | KDM4E (0.39) | KDM4EALDH1A1MAPTCYP2C9TSHR | |
| SCHEMBL8994697 | 0.78 | TDP1 (0.48) | TDP1CYP3A4CA9CA1CA2 | |
| SCHEMBL28521698 | 0.77 | CA12 (0.48) | TDP1CYP3A4CA9CA1CA2 |
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 |