Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 1/20 | 0.54 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.54 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9406669 | 0.90 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBEGLN1 | |
| SCHEMBL5848453 | 0.86 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL9406731 | 0.77 | PI4KA (0.40) | PI4KAPI4K2BPI4K2API4KBMEN1 | |
| SCHEMBL6533716 | 0.75 | EGLN1 (0.39) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL9544742 | 0.74 | AKT2 (0.44) | ADORA1ADORA2AADORA3EGLN1POLB | |
| SCHEMBL10910539 | 0.73 | ADORA2A (0.61) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL6016629 | 0.72 | EGLN1 (0.43) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL9668602 | 0.71 | PI4KA (0.91) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL11878666 | 0.70 | EGLN1 (0.40) | PI4KAPI4K2BPI4K2API4KBADORA1 | |
| SCHEMBL7378689 | 0.70 | NOS2 (0.59) | PI4KAPI4K2BPI4K2API4KBADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |