Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28433866 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TBXAS1CYP1A2KMT2AUSP2 | |
| SCHEMBL28440838 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TBXAS1CYP1A2KMT2AUSP2 | |
| SCHEMBL28433860 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TBXAS1CYP1A2KMT2AUSP2 | |
| SCHEMBL28440915 | 0.85 | TAS1R3 (0.61) | ALDH1A1TBXAS1 | |
| SCHEMBL28442106 | 0.85 | ALDH1A1 (0.49) | ALDH1A1TBXAS1CYP1A2KMT2AUSP2 | |
| SCHEMBL28571346 | 0.81 | TBXAS1 (0.47) | TBXAS1CYP1A2KMT2AUSP2LMNA | |
| SCHEMBL10858272 | 0.79 | ALDH1A1 (0.79) | ALDH1A1KMT2ALMNA | |
| SCHEMBL10858265 | 0.79 | ALDH1A1 (0.79) | ALDH1A1KMT2ALMNA | |
| SCHEMBL28450727 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TBXAS1CYP1A2KMT2AUSP2 | |
| SCHEMBL28441964 | 0.78 | KMT2A (0.53) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 |
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-111533693-A | Cinnamic acid amide diazole derivative and application thereof in antifungal drugs | 张建蒙 | 2020-08-14 | — | — | CN | claimed |
| CN-111533693-A | Cinnamic acid amide diazole derivative and application thereof in antifungal drugs | 张建蒙 | 2020-08-14 | — | — | CN | disclosed |