Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 4/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4392529 | 0.90 | MAPT (0.48) | MAPTALDH1A1DYRK1ACLK4SIRT5 | |
| SCHEMBL4380349 | 0.85 | MAPT (0.55) | MAPTALDH1A1SIRT5NPC1GAA | |
| SCHEMBL4385085 | 0.85 | PRKCQ (0.54) | DYRK1AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1181871 | 0.83 | MAPT (0.47) | MAPTALDH1A1SIRT5NPC1RAB9A | |
| SCHEMBL4384924 | 0.78 | MAPT (0.54) | MAPTPOLBSIRT5PRKCQMAPK1 | |
| SCHEMBL4389712 | 0.76 | PRKCQ (0.54) | DYRK1APRKCQ | |
| SCHEMBL4383230 | 0.74 | SIRT5 (0.59) | MAPTALDH1A1SIRT5 | |
| SCHEMBL1182313 | 0.74 | SIRT5 (0.59) | MAPTALDH1A1SIRT5 | |
| SCHEMBL4384306 | 0.74 | PRKCQ (0.53) | PRKCQ | |
| SCHEMBL1181753 | 0.74 | SIRT5 (0.48) | MAPTSIRT5PRKCQ |
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-2066665-A2 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS | CV THERAPEUTICS, INC. (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008043087-A2 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS | CV THERAPEUTICS, INC. (US) | 2008-04-10 | — | — | WO | disclosed |