Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | CTRC | Q99895 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5048952 | 0.94 | CYP2A6 (0.65) | TDP1CYP2A6HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL21225648 | 0.89 | CYP1A2 (0.47) | TDP1CYP2A6HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL28162089 | 0.87 | CYP2A6 (0.56) | TDP1CYP2A6HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23179575 | 0.87 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30340802 | 0.87 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25464967 | 0.87 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18260215 | 0.87 | HSD17B1 (0.71) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31502316 | 0.87 | HSD17B1 (0.71) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4546923 | 0.87 | CTRC (0.57) | TDP1CYP2A6HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL6209672 | 0.87 | HSD17B1 (0.71) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 |
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-114621045-A | Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde | 长沙资材科技有限公司 | 2022-06-14 | — | — | CN | disclosed |