Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12924143 | 0.67 | CA14 (0.47) | SSTR4 | |
| SCHEMBL5200449 | 0.66 | BRD4 (0.37) | KDM4EALDH1A1 | |
| SCHEMBL5204329 | 0.66 | KDM4E (0.39) | KDM4EALDH1A1 | |
| SCHEMBL505669 | 0.66 | CA14 (0.46) | SSTR4 | |
| SCHEMBL12924141 | 0.66 | CA14 (0.46) | SSTR4 | |
| SCHEMBL5200348 | 0.65 | NISCH (0.34) | ALDH1A1 | |
| SCHEMBL16522402 | 0.65 | CA14 (0.43) | SSTR4 | |
| SCHEMBL2248633 | 0.65 | CA14 (0.46) | SSTR4 | |
| SCHEMBL5200333 | 0.65 | KDM4E (0.39) | KDM4EALDH1A1 | |
| SCHEMBL2260891 | 0.64 | MEN1 (0.45) | — |
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 |