Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2629461 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL6324673 | 0.91 | ALDH1A1 (0.58) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL10054661 | 0.91 | ALDH1A1 (0.58) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL30725970 | 0.91 | ALDH1A1 (0.58) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL30966448 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL29169330 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL2495718 | 0.81 | ROR1 (0.39) | ALDH1A1KDM4EMAPK1HSD17B10ADORA3 | |
| SCHEMBL15077681 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL15077679 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 | |
| SCHEMBL27939651 | 0.79 | CYP3A4 (0.46) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 |
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-113912577-B | Rockwell intermediate, rockwell and its derivative, and preparation and application | 深圳湾实验室 | 2023-12-29 | — | — | CN | disclosed |