Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | CASP1 | P29466 | 4/20 | 0.59 |
| ▸ | CASP7 | P55210 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.59 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL10516809 | 0.90 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL19248907 | 0.88 | CYP3A4 (0.75) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL10515820 | 0.87 | ALDH1A1 (0.69) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL38663343 | 0.85 | ALDH1A1 (0.83) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL10513549 | 0.85 | CYP3A4 (0.66) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL10666102 | 0.85 | ALDH1A1 (0.66) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL10516653 | 0.85 | ALDH1A1 (0.66) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL13056258 | 0.83 | ALDH1A1 (0.71) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL1627835 | 0.80 | ALDH1A1 (1.00) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 | |
| SCHEMBL10516003 | 0.79 | POLH (0.59) | CYP3A4ALDH1A1CYP2C9TDP1CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183169-B1 | HALOGEN-HYDROXY FLAVONE | MERCK PATENT GmbH (DE) | 1989-05-10 | — | — | EP | disclosed |
| US-4788215-A | TREATMENT OF HYPERTHYROIDISM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-11-29 | — | — | US | disclosed |
| US-4713465-A | Flavanone intermediates for halogenohydroxyflavones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-15 | — | — | US | disclosed |
| EP-0183169-A2 | Halogen-hydroxy flavone | MERCK PATENT GmbH (DE) | 1986-06-04 | — | — | EP | disclosed |