Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 7/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.48 |
| ▸ | PDE6D | O43924 | 1/20 | 0.48 |
| ▸ | PDE6A | P16499 | 1/20 | 0.48 |
| ▸ | PDE6G | P18545 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE6B | P35913 | 1/20 | 0.48 |
| ▸ | PDE6C | P51160 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.44 |
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16319299 | 0.81 | ALDH1A1 (0.45) | AMY1AIDH2NPC1RAB9ACYP17A1 | |
| SCHEMBL16318848 | 0.78 | PTPN1 (0.43) | AMY1ANPC1RAB9AGRK6 | |
| SCHEMBL16319222 | 0.77 | FFAR1 (0.47) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL15973333 | 0.76 | PDE2A (0.43) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL8698362 | 0.74 | MAPT (0.40) | PDE2APDE10AAMY1AIDH2NPC1 | |
| SCHEMBL17436180 | 0.69 | KDM1A (0.45) | AMY1AIDH2NPC1RAB9ACYP17A1 | |
| SCHEMBL15972269 | 0.69 | ERN1 (0.47) | AMY1ANPC1 | |
| SCHEMBL16318931 | 0.68 | NPC1 (0.45) | NPC1RAB9AHSP90AA1 | |
| SCHEMBL8774927 | 0.68 | ALDH1A1 (0.44) | AMY1AIDH2NPC1RAB9AGRK6 | |
| SCHEMBL1042563 | 0.67 | MAPT (0.56) | AMY1ANPC1RAB9AIDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382188-B2 | Aromatic ring compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-07-05 | — | — | US | disclosed |
| EP-2816023-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-12-24 | — | — | EP | disclosed |