Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 12/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3152267 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL303655 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL5496430 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL15389318 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL29587801 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL3152260 | 0.74 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL22597595 | 0.69 | BACE1 (0.47) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL22046232 | 0.69 | BACE1 (0.47) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL4249293 | 0.69 | BACE1 (0.47) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL1427710 | 0.69 | BACE1 (0.47) | BACE1PKMDYRK1ACCNKCDK12 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |