Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | CASP7 | P55210 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL10669999 | 0.91 | KMT2A (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10756892 | 0.82 | ALDH1A1 (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10516555 | 0.81 | ALDH1A1 (0.69) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10671037 | 0.78 | ALOX5 (0.40) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10666554 | 0.77 | ALDH1A1 (0.39) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL1447424 | 0.73 | MAPT (0.56) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10753926 | 0.73 | KMT2A (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10515926 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL10516653 | 0.69 | ALDH1A1 (0.66) | CYP3A4ALDH1A1CYP2C9CYP2C19TDP1 | |
| SCHEMBL140039 | 0.69 | ALDH1A1 (0.66) | ALDH1A1CYP2C9TDP1TSHRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |