Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29768497 | 0.76 | PDE10A (0.50) | PDE10AALDH1A1HSD17B10ADORA2AADORA1 | |
| SCHEMBL460509 | 0.70 | CSNK1D (0.42) | ADORA2AADORA1NPC1MAPK1RAB9A | |
| SCHEMBL1752958 | 0.69 | SMARCA2 (0.42) | PDE10AKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL31366252 | 0.68 | CYP17A1 (0.35) | — | |
| SCHEMBL8891228 | 0.68 | BACE1 (0.44) | L3MBTL1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL25274620 | 0.68 | CYP2A6 (0.43) | L3MBTL1KDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL25778894 | 0.68 | OPRL1 (0.35) | KDM4E | |
| SCHEMBL22588702 | 0.68 | SMARCA2 (0.53) | ALDH1A1HSD17B10ADORA2AADORA1NPC1 | |
| SCHEMBL21241059 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL28994883 | 0.68 | CSNK1D (0.41) | KDM4EALDH1A1HPGDADORA2AADORA1 |
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-2748149-A1 | PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013027000-A1 | PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |