Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL322590 | 1.00 | PDE4A (0.52) | PDE4AERN1ALDH1A1TSHRTDP1 | |
| SCHEMBL8840880 | 0.84 | PDE4A (0.67) | PDE4AERN1ALDH1A1TSHRTDP1 | |
| SCHEMBL5329103 | 0.84 | PDGFRB (0.47) | ALDH1A1TSHRTDP1CYP3A4HSD17B10 | |
| SCHEMBL3987934 | 0.82 | ALDH1A1 (0.44) | ERN1ALDH1A1TSHRCYP3A4HSD17B10 | |
| SCHEMBL28764944 | 0.82 | CYP17A1 (0.54) | ERN1ALDH1A1PDGFRBPDGFRAKDM4E | |
| SCHEMBL695680 | 0.82 | CYP17A1 (0.54) | ERN1ALDH1A1PDGFRBPDGFRAKDM4E | |
| SCHEMBL28947822 | 0.82 | MAOB (0.52) | ALDH1A1TDP1HSD17B10MAPTHPGD | |
| SCHEMBL9020733 | 0.82 | HPGD (0.41) | PDE4AALDH1A1TDP1CYP3A4PDGFRB | |
| SCHEMBL8461866 | 0.81 | PDE4A (0.65) | PDE4A | |
| SCHEMBL5326742 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KDM4E |
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-108299285-B | Synthesis method of trifluoromethyl dihydropyridone compound | 河南师范大学 | 2020-10-30 | — | — | CN | claimed |