Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | MAPT | P10636 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 4/20 | 1.00 |
| ▸ | SLCO1B3 | Q9NPD5 | 4/20 | 1.00 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 4/20 | 1.00 |
| ▸ | SLCO2B1 | O94956 | 3/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | ALOX12 | P18054 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | F2 | P00734 | 1/20 | 1.00 |
| ▸ | PLAU | P00749 | 1/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Isosilybin A SCHEMBL972938 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Isosilybin A SCHEMBL18089487 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silybin B SCHEMBL751461 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silibinin SCHEMBL678427 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silybin A SCHEMBL324884 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silibinin SCHEMBL24236664 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silibinin SCHEMBL19194836 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silibinin SCHEMBL22993978 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Silibinin SCHEMBL22398934 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 | |
| Isosilybin A SCHEMBL4653986 | 1.00 | CYP3A4 (1.00) | CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021110085-A1 | METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION | 深圳艾欣达伟医药科技有限公司 | 2021-06-10 | — | — | WO | disclosed |