Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 8/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 6/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28942285 | 1.00 | CYP3A4 (0.50) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL29690077 | 0.93 | TOP2A (0.49) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL28942278 | 0.93 | TOP2A (0.49) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL5529726 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL5529630 | 0.85 | ALDH1A1 (0.42) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL5524887 | 0.85 | PARP1 (0.41) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL5525246 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL29690215 | 0.82 | HPGD (0.52) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL28942281 | 0.82 | HPGD (0.52) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL5522845 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2C9HPGDHSD17B10ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539213-A | Fluoroquinolone compound and preparation method and application thereof | 广东工业大学 | 2022-05-27 | — | — | CN | claimed |
| CN-114539213-A | Fluoroquinolone compound and preparation method and application thereof | 广东工业大学 | 2022-05-27 | — | — | CN | disclosed |