Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21555726 | 0.85 | CYP17A1 (0.54) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL900219 | 0.80 | CYP17A1 (0.71) | CYP17A1CYP1A2KDM4ELMNATP53 | |
| SCHEMBL30119632 | 0.78 | CYP17A1 (0.60) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL28645557 | 0.78 | CYP17A1 (0.46) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL28626030 | 0.76 | TLR7 (0.39) | CYP17A1CYP1A2ARFDPSTLR7 | |
| SCHEMBL17596372 | 0.76 | CYP11B1 (0.55) | ADORA2ALMNANR1H4 | |
| SCHEMBL31363591 | 0.75 | CYP17A1 (0.51) | CYP17A1CYP1A2AR | |
| SCHEMBL22533862 | 0.72 | PKM (0.44) | LMNANR1H4 | |
| SCHEMBL28634932 | 0.72 | CYP17A1 (0.48) | CYP17A1CYP1A2ARKDM4ELMNA | |
| SCHEMBL3061771 | 0.72 | DPP4 (0.44) | KDM4ELMNATP53MAPTTSHR |
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 |