Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663962 | 0.90 | ROCK2 (0.46) | ROCK2ROCK1 | |
| SCHEMBL6680821 | 0.90 | ALDH1A1 (0.41) | KDM4CPDE5AALDH1A1MAPTNR1H2 | |
| SCHEMBL6662371 | 0.90 | MAOB (0.38) | ROCK2KDM4CKDM5BCSNK2A2ROCK1 | |
| SCHEMBL6664479 | 0.88 | ROCK2 (0.40) | ROCK2KDM5BROCK1KDM5ANR1H2 | |
| SCHEMBL6664689 | 0.87 | PSEN1 (0.43) | ROCK2KDM4CKDM5BROCK1ALDH1A1 | |
| SCHEMBL6669268 | 0.86 | ROCK2 (0.38) | ROCK2KDM4CKDM5BROCK1KDM5A | |
| SCHEMBL6665423 | 0.85 | NNMT (0.41) | KDM5BCSNK2A2PDE5AKDM5AOPRK1 | |
| SCHEMBL6678968 | 0.80 | NR1H2 (0.49) | KDM4CALDH1A1NR1H2NR1H3PARK7 | |
| SCHEMBL6664550 | 0.79 | ROCK2 (0.43) | ROCK2ROCK1ALDH1A1NR1H2NR1H3 | |
| Niacinamide SCHEMBL6669309 | 0.79 | PSEN1 (0.41) | ROCK2ALDH1A1NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014388-A1 | 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |