Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28645557 | 0.80 | CYP17A1 (0.46) | CYP17A1CYP1A2ARKAT2BFDPS | |
| SCHEMBL28626030 | 0.78 | TLR7 (0.39) | CYP17A1CYP1A2ARFDPSHTT | |
| SCHEMBL28854063 | 0.74 | KAT2B (0.30) | KAT2B | |
| SCHEMBL6123472 | 0.73 | CYP17A1 (0.42) | CYP17A1CYP1A2ARFDPSHTT | |
| SCHEMBL6118005 | 0.66 | AR (0.37) | CYP17A1CYP1A2ARFDPSTLR7 | |
| SCHEMBL38662718 | 0.65 | TDP1 (0.63) | FDPSHTTCYP11B1CYP11B2 | |
| SCHEMBL13671965 | 0.64 | KDM4E (0.44) | CYP1A2KAT2BHTT | |
| SCHEMBL28626048 | 0.64 | USP2 (0.42) | AR | |
| SCHEMBL29988604 | 0.63 | KDM4E (0.36) | KAT2BHTT | |
| SCHEMBL27816853 | 0.63 | KDM4E (0.36) | KAT2BHTT |
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-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |