Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1544708 | 1.00 | KCNH2 (0.56) | KCNH2CYP3A4GRM5MAPTTP53 | |
| SCHEMBL14431248 | 0.91 | KCNH2 (0.56) | KCNH2CYP3A4GRM5MAPTTP53 | |
| SCHEMBL1544057 | 0.86 | KCNH2 (0.68) | KCNH2GRM5MAPTTP53NPC1 | |
| SCHEMBL1544002 | 0.86 | CYP3A4 (0.41) | KCNH2CYP3A4TP53NPC1RAB9A | |
| SCHEMBL1544118 | 0.86 | KCNH2 (0.43) | KCNH2CYP3A4GRM5MAPTNPC1 | |
| SCHEMBL1544121 | 0.86 | KCNH2 (0.43) | KCNH2CYP3A4GRM5MAPTNPC1 | |
| SCHEMBL1543735 | 0.84 | KCNH2 (0.54) | KCNH2CYP3A4MAPTTP53NPC1 | |
| SCHEMBL1544379 | 0.84 | KCNH2 (0.54) | KCNH2CYP3A4MAPTTP53NPC1 | |
| SCHEMBL1543853 | 0.84 | KCNH2 (0.54) | KCNH2CYP3A4MAPTTP53NPC1 | |
| SCHEMBL1544055 | 0.82 | CYP3A4 (0.52) | KCNH2CYP3A4GRM5MAPTTP53 |
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-1723144-B1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2010-10-06 | — | — | EP | disclosed |