Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.42 |
| ▸ | AURKA | O14965 | 4/20 | 0.42 |
| ▸ | SYK | P43405 | 4/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2718370 | 0.86 | SYK (0.53) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL3718998 | 0.83 | MAPT (0.52) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL4584445 | 0.80 | MAPT (0.55) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL22609596 | 0.79 | MAPT (0.54) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL28321809 | 0.79 | SYK (0.44) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL1543351 | 0.79 | KDM4E (0.39) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL3714496 | 0.78 | KDM4E (0.59) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL28320641 | 0.76 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL2713154 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL28282980 | 0.76 | MAPK8 (0.52) | KDM4EALDH1A1HPGDHSD17B10MAPT |
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-106061967-B | The nicotinamide compounds replaced through heteroaryl | 百时美施贵宝公司 | 2019-04-19 | — | — | CN | claimed |