Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28856671 | 0.80 | BRD4 (0.52) | — | |
| SCHEMBL29079910 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL31747891 | 0.78 | MPO (0.57) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL19508294 | 0.75 | HMBS (0.43) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL12441564 | 0.74 | MPO (0.47) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL21686701 | 0.74 | KDM4E (0.49) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL301996 | 0.73 | CA1 (0.71) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL29788337 | 0.73 | CA1 (0.71) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL29429633 | 0.73 | CA1 (0.71) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL13929106 | 0.73 | HSD17B10 (0.69) | ALDH1A1KDM4EKMT2AMEN1MAPT |
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-110066236-A | 1H- azole derivatives, preparation method, pharmaceutical composition and application | 上海迪诺医药科技有限公司 | 2019-07-30 | — | — | CN | disclosed |