Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545485 | 0.98 | KCNH2 (0.53) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| Methane SCHEMBL5741987 | 0.97 | KCNH2 (0.50) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL5741985 | 0.86 | KCNH2 (0.49) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL3107768 | 0.84 | RAB9A (0.47) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL3107772 | 0.84 | RAB9A (0.47) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL1544764 | 0.79 | KCNH2 (0.53) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL1544766 | 0.79 | KCNH2 (0.53) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL1544487 | 0.77 | MAPT (0.55) | KCNH2GRM5RAB9AKMT2ANPC1 | |
| SCHEMBL5126441 | 0.76 | RAB9A (0.53) | GRM5RAB9AKMT2ANPC1MAPT | |
| SCHEMBL1544494 | 0.76 | MAPT (0.53) | KCNH2GRM5RAB9AKMT2ANPC1 |
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-1716152-A2 | FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | AstraZeneca AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080397-A2 | FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ASTRAZENECA AB (SE) | 2005-09-01 | — | — | WO | disclosed |