Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 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 | |
|---|---|---|---|---|
| SCHEMBL22129247 | 0.86 | TACR1 (0.39) | ALDH1A1TACR1MAPTSLC6A2SLC6A4 | |
| SCHEMBL24061499 | 0.83 | NUDT1 (0.43) | NUDT1METAP2PDE4APDE4BPDE4C | |
| SCHEMBL30506418 | 0.81 | SLC6A2 (0.41) | ALDH1A1TACR1KDM4EMAPTSLC6A2 | |
| SCHEMBL27840493 | 0.81 | SLC6A2 (0.41) | ALDH1A1TACR1KDM4EMAPTSLC6A2 | |
| SCHEMBL2799978 | 0.80 | NUDT1 (0.51) | NUDT1METAP2PDE4APDE4BPDE4C | |
| SCHEMBL31553481 | 0.79 | TACR1 (0.35) | ALDH1A1TACR1KDM4EMAPTSLC6A2 | |
| SCHEMBL28684806 | 0.78 | SLC6A2 (0.34) | ALDH1A1TACR1MAPTSLC6A2SLC6A4 | |
| SCHEMBL22044348 | 0.77 | SLC6A2 (0.41) | ALDH1A1TACR1KDM4EMAPTSLC6A2 | |
| SCHEMBL31619726 | 0.77 | MEN1 (0.38) | MEN1KMT2ATACR1MAPT | |
| SCHEMBL31553477 | 0.75 | TACR1 (0.36) | ALDH1A1MEN1KMT2ATACR1TP53 |
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-108912009-B | Asymmetric diimine nickel catalyst and ligand, preparation method and application thereof | 中国科学技术大学 | 2020-06-26 | — | — | CN | disclosed |
| CN-108912009-A | Asymmetric diimine nickel catalyst and its ligand, preparation method and purposes | 中国科学技术大学 | 2018-11-30 | — | — | CN | disclosed |