Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 2/20 | 0.40 |
| ▸ | FNTB | P49356 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28352526 | 0.89 | PLK1 (0.39) | PLK1HPGDKDM4EALDH1A1TP53 | |
| SCHEMBL28356556 | 0.88 | HPGD (0.47) | GABRA2GABRB2CACNA2D1LMNAHPGD | |
| SCHEMBL28352367 | 0.87 | GLA (0.43) | GABRA2GABRB2CACNA2D1LMNAHPGD | |
| SCHEMBL28355861 | 0.87 | TSHR (0.40) | GABRA2GABRB2CACNA2D1HPGDTP53 | |
| SCHEMBL28356404 | 0.87 | DCTPP1 (0.41) | CACNA2D1LMNAHPGDALDH1A1VCP | |
| SCHEMBL28356151 | 0.85 | HPGD (0.40) | PLK1CACNA2D1HPGDALDH1A1TP53 | |
| SCHEMBL28352441 | 0.84 | MDM2 (0.43) | GABRA2GABRB2MDM2PLK1CACNA2D1 | |
| SCHEMBL28356409 | 0.82 | HPGD (0.42) | PLK1CACNA2D1HPGDKDM4EALDH1A1 | |
| SCHEMBL28352337 | 0.81 | HPGD (0.43) | GABRA2GABRB2PLK1CACNA2D1HPGD | |
| SCHEMBL28356143 | 0.81 | CACNA2D1 (0.41) | PLK1CACNA2D1HPGDALDH1A1VCP |
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-107162982-B | Imidazole compounds with anticancer activity and derivatives thereof | 广东药科大学 | 2020-02-11 | — | — | CN | disclosed |