Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 8/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20660478 | 1.00 | CYP2D6 (0.39) | CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20660476 | 1.00 | CYP2D6 (0.39) | CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4182300 | 1.00 | CYP2D6 (0.39) | CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL19280968 | 1.00 | CYP2D6 (0.39) | CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1010880 | 0.78 | CYP2D6 (0.37) | CYP2D6MC4R | |
| SCHEMBL22389609 | 0.78 | CYP2D6 (0.37) | CYP2D6MC4R | |
| SCHEMBL22389608 | 0.78 | CYP2D6 (0.37) | CYP2D6MC4R | |
| SCHEMBL22389607 | 0.78 | CYP2D6 (0.37) | CYP2D6MC4R | |
| SCHEMBL30707244 | 0.74 | HSD11B1 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1771176 | 0.73 | — | — |
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-2699569-B1 | AMINOPYRIMIDINE KINASE INHIBITORS | JASCO PHARMACEUTICALS LLC (US) | 2017-08-30 | — | — | EP | disclosed |