Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19122581 | 1.00 | KCNH2 (0.49) | KCNH2MAPTNPC1RAB9APOLB | |
| SCHEMBL8701323 | 0.98 | MAPT (0.48) | KCNH2MAPTNPC1RAB9APOLB | |
| SCHEMBL13555429 | 0.94 | MAPT (0.49) | KCNH2MAPTNPC1RAB9APOLB | |
| SCHEMBL8200767 | 0.87 | POLB (0.49) | MAPTNPC1RAB9APOLBPKM | |
| SCHEMBL10992041 | 0.83 | ADRA2A (0.46) | MAPTPOLBPKMADRA2AADRA2B | |
| SCHEMBL5380629 | 0.80 | CYP1A2 (0.47) | MAPTNPC1RAB9APOLBPKM | |
| SCHEMBL9655999 | 0.79 | ADRA2A (0.43) | MAPTPOLBPKMADRA2AADRA2B | |
| SCHEMBL10428506 | 0.78 | PKM (0.50) | KCNH2MAPTNPC1RAB9APOLB | |
| SCHEMBL12173070 | 0.77 | MAPT (0.52) | MAPTNPC1RAB9APKMGAA | |
| SCHEMBL3936383 | 0.77 | CYP1A2 (0.43) | MAPTPOLBPKMADRA2AADRA2B |
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-2821402-B1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC (JP) | 2019-08-21 | — | — | EP | disclosed |