Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4763180 | 0.89 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL20564150 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL20563891 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL6818074 | 0.79 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL24133248 | 0.78 | KDM4E (0.47) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL1609857 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL177349 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL3643556 | 0.77 | KDM4E (0.62) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL11784162 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19GAAMAPT | |
| SCHEMBL13858628 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19GAAL3MBTL1 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |