Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 1/20 | 0.48 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.48 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406731 | 0.90 | PI4KA (0.40) | PI4KAPI4K2BPI4K2API4KBCYP1A2 | |
| SCHEMBL5848451 | 0.83 | ADORA3 (0.41) | PI4KAPI4K2BPI4K2API4KBCYP1A2 | |
| SCHEMBL9668597 | 0.83 | PI4KA (0.60) | PI4KAPI4K2BPI4K2API4KBMAPK1 | |
| SCHEMBL22598698 | 0.82 | CACNA1H (0.37) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27761904 | 0.79 | PI4KA (0.52) | PI4KAPI4K2BPI4K2API4KBGPR84 | |
| SCHEMBL9669070 | 0.79 | PI4KA (0.46) | PI4KAPI4K2BPI4K2API4KBCYP1A2 | |
| SCHEMBL5481178 | 0.78 | PI4KA (0.67) | PI4KAPI4K2BPI4K2API4KBGPR84 | |
| SCHEMBL9406669 | 0.78 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBCYP1A2 | |
| SCHEMBL16487356 | 0.77 | PI4KA (0.65) | PI4KAPI4K2BPI4K2API4KBGPR84 | |
| SCHEMBL27741346 | 0.77 | PI4KA (0.65) | PI4KAPI4K2BPI4K2API4KBGPR84 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2991987-A1 | PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014177490-A1 | PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |
| US-5332744-A | Hypotensive, congestive heart failure, intraocular pressure | MERCK & CO., INC. (US) | 1994-07-26 | — | — | US | disclosed |
| US-5157026-A | Oxo-purines as angiotensin II antagonists | MERCK & CO., INC. (US) | 1992-10-20 | — | — | US | disclosed |
| US-5102880-A | Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents | MERCK & CO., INC. (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0400974-A2 | Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1990-12-05 | — | — | EP | disclosed |