Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4327916 | 0.91 | KCNH2 (0.47) | KCNH2CYP3A4BCHENPC1RAB9A | |
| SCHEMBL1544442 | 0.89 | KCNH2 (0.47) | KCNH2CYP3A4BCHENPC1RAB9A | |
| SCHEMBL5482293 | 0.80 | P2RX7 (0.40) | KCNH2NPC1RAB9AMAPTTP53 | |
| SCHEMBL5478892 | 0.79 | MAPT (0.40) | KCNH2NPC1RAB9AMAPTTP53 | |
| SCHEMBL4336808 | 0.79 | MAPT (0.38) | KCNH2NPC1RAB9AMAPTTP53 | |
| SCHEMBL4338428 | 0.78 | MAPT (0.44) | KCNH2NPC1RAB9AMAPTTP53 | |
| SCHEMBL1544852 | 0.78 | KCNH2 (0.45) | KCNH2CYP3A4BCHENPC1RAB9A | |
| SCHEMBL4331877 | 0.77 | KCNH2 (0.57) | KCNH2BCHENPC1RAB9AMAPT | |
| SCHEMBL4329337 | 0.77 | NPC1 (0.44) | KCNH2BCHENPC1RAB9AMAPT | |
| SCHEMBL4329314 | 0.76 | KCNH2 (0.48) | KCNH2CYP3A4BCHENPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716152-B1 | FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |