Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 4/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | SMO | Q99835 | 2/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5201609 | 0.75 | HPGDS (0.42) | KDM4EALDH1A1HPGDS | |
| SCHEMBL17963227 | 0.72 | CTSA (0.43) | ALDH1A1ADORA2AADORA1GRM5 | |
| SCHEMBL5199466 | 0.69 | LMNA (0.46) | KDM4EALDH1A1ADORA2AADORA1SMPD3 | |
| SCHEMBL3079922 | 0.69 | ALDH1A1 (0.42) | KDM4EALDH1A1GRM5 | |
| SCHEMBL5202337 | 0.67 | KDM4E (0.36) | KDM4EALDH1A1MAPK14SMPD3VCP | |
| SCHEMBL3558150 | 0.67 | CD38 (0.47) | — | |
| SCHEMBL5200333 | 0.66 | KDM4E (0.39) | KDM4EALDH1A1MAPK14SMPD3BRAF | |
| SCHEMBL7083262 | 0.66 | CTSA (0.45) | KDM4EALDH1A1 | |
| SCHEMBL5200449 | 0.65 | BRD4 (0.37) | KDM4EALDH1A1ADORA2AADORA1SMPD3 | |
| SCHEMBL5204329 | 0.65 | KDM4E (0.39) | KDM4EALDH1A1MAPK14SMPD3SMO |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |