Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29365059 | 0.89 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL1043402 | 0.89 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL29372595 | 0.89 | CYP2B6 (0.43) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| Biphenyl SCHEMBL27808086 | 0.83 | CYP1A1 (0.47) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL3708936 | 0.81 | HPRT1 (0.47) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL3703014 | 0.78 | CYP1A2 (0.45) | CYP2B6CYP1A1CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL15192139 | 0.72 | HSD17B10 (0.42) | CYP1A2ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL9264211 | 0.71 | LMNA (0.47) | CYP1A1CYP1A2ALDH1A1TSHRTDP1 | |
| SCHEMBL2458273 | 0.71 | MAPT (0.47) | CYP2B6CYP1A1CYP1A2ALDH1A1TSHR | |
| Phenanthrene SCHEMBL28476619 | 0.71 | CYP2A6 (0.63) | CYP1A2ALDH1A1CYP2A6TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114634517-B | Preparation method of medical intermediate benzo chromene pyrimidine derivative | 安徽工业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-114634517-A | Preparation method of medical intermediate benzo chromene pyrimidine derivative | 安徽工业大学 | 2022-06-17 | — | — | CN | disclosed |