Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 8/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7740424 | 0.85 | MEN1 (0.36) | HDAC6HDAC10NAMPTRORCGLS | |
| SCHEMBL7738859 | 0.81 | HDAC6 (0.36) | HDAC6HDAC10NAMPTRAF1BRAF | |
| SCHEMBL7740476 | 0.80 | NOS1 (0.38) | HDAC6HDAC10CA12CA1CA2 | |
| SCHEMBL27564255 | 0.80 | NTRK1 (0.31) | PIK3CAPIK3CG | |
| Hydrochloric Acid SCHEMBL27512818 | 0.79 | TDO2 (0.32) | PIK3CAPIK3CG | |
| SCHEMBL27564542 | 0.78 | JAK2 (0.39) | NAMPTHDAC1GLS | |
| SCHEMBL27577235 | 0.78 | IDO1 (0.43) | HDAC6HDAC10NAMPTHDAC1GLS | |
| SCHEMBL27564508 | 0.75 | ALDH1A1 (0.44) | NAMPTGLS | |
| SCHEMBL27544136 | 0.73 | IDO1 (0.41) | NAMPTHDAC1GLSCA12CA1 | |
| SCHEMBL27564883 | 0.72 | CYP2C9 (0.45) | NAMPTHDAC1GLSCYP2C9MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1217928-C | Heterocyclic compound having NOS inhibitory action | CHUGAI SEIYAKA K K (JP) | 2005-09-07 | — | — | CN | disclosed |
| US-6414005-B1 | BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-07-02 | — | — | US | disclosed |
| CN-1280565-A | Heterocyclic compounds having NOS inhibitory activities | CHUGAI SEIYAKA K K (JP) | 2001-01-17 | — | — | CN | disclosed |
| EP-1043312-A1 | HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-10-11 | — | — | EP | disclosed |