Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709579 | 0.84 | KDM4E (0.38) | ALDH1A1CYP2D6CYP2C19APAF1NSD2 | |
| SCHEMBL8020333 | 0.83 | XDH (0.45) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8020675 | 0.82 | TDP1 (0.42) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8023521 | 0.79 | HSD17B14 (0.50) | HSD17B14 | |
| SCHEMBL8709890 | 0.78 | RAB9A (0.37) | ALDH1A1HPGDNPC1ADORA2AKDM4E | |
| SCHEMBL8714963 | 0.77 | PPIA (0.43) | ALDH1A1HPGDL3MBTL1NPC1MAPK1 | |
| SCHEMBL8709054 | 0.75 | CYP3A4 (0.47) | ALDH1A1CYP2D6CYP2C19KDM4EMAPT | |
| SCHEMBL8715277 | 0.74 | CLCN2 (0.38) | ALDH1A1APAF1NSD2CASP3SENP8 | |
| SCHEMBL8712836 | 0.74 | MAPK8 (0.37) | ALDH1A1HPGDL3MBTL1NPC1MEN1 | |
| SCHEMBL8713191 | 0.74 | MAPK8 (0.39) | ALDH1A1HPGDL3MBTL1NPC1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802187-B1 | Hydroxypyridine derivatives, their production and their pharmaceutical use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-02-16 | — | — | EP | disclosed |
| US-5891895-A | POTASSIUM CHANNEL MODULATORS; ANGINA PECTORIS; HYPERTENSIVEAGENTS; CARDIOVASCULAR, RESPIRATORY SYSTEM, BRAIN, GASTROINTESTINAL AND UROGENITAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0802187-A1 | Hydroxypyridine derivatives, their production and their pharmaceutical use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-22 | — | — | EP | disclosed |