Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199693 | 0.73 | MAPT (0.34) | MAPK14HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL5199947 | 0.71 | HRH3 (0.35) | HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL5200449 | 0.68 | BRD4 (0.37) | HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL2637675 | 0.66 | SMN1; SMN2 (0.39) | HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL4641452 | 0.65 | SCN10A (0.35) | HCRTR1HCRTR2 | |
| SCHEMBL5201542 | 0.65 | FFAR1 (0.39) | HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL5200333 | 0.64 | KDM4E (0.39) | MAPK14HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL5202000 | 0.64 | MEN1 (0.33) | HCRTR1HCRTR2 | |
| SCHEMBL5204446 | 0.64 | HCRTR1 (0.37) | MAPK14HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL5202337 | 0.62 | KDM4E (0.36) | MAPK14HCRTR1HCRTR2KDM4EALDH1A1 |
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 |