Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8205755 | 0.85 | TRPA1 (0.43) | BACE1CYP1A2KDM4ELMNATP53 | |
| SCHEMBL13226798 | 0.83 | CYP4F2 (0.37) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13226806 | 0.83 | TRPA1 (0.39) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14402511 | 0.81 | BACE1 (0.40) | BACE1CYP4F2CYP4A11RIPK1KDM4E | |
| SCHEMBL2118677 | 0.80 | DHFR (0.42) | BACE1CYP1A2CYP4F2CYP4A11LMNA | |
| SCHEMBL3690355 | 0.79 | BACE1 (0.47) | BACE1PARP1GAASLC9A1 | |
| SCHEMBL13617385 | 0.79 | CYP4F2 (0.51) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21936226 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL8055086 | 0.79 | BACE1 (0.39) | BACE1CYP4F2CYP4A11RIPK1PARP1 | |
| SCHEMBL7881476 | 0.79 | TDP1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344615-A1 | PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS | GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037116-A1 | PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-09 | — | — | WO | disclosed |
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |