Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.57 |
| ▸ | NOS2 | P35228 | 1/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5237688 | 0.77 | KIF11 (0.38) | NOS3NOS2KIF11ALDH1A1GAA | |
| SCHEMBL810884 | 0.76 | NOS3 (0.61) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL2327508 | 0.74 | NOS3 (0.59) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL29518423 | 0.74 | NOS3 (0.59) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL607015 | 0.74 | NOS3 (0.59) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL119912 | 0.73 | NOS3 (0.57) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL1660106 | 0.73 | NOS3 (0.57) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| Hydrochloric Acid SCHEMBL19837612 | 0.73 | NOS3 (0.57) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL4397763 | 0.73 | NOS3 (0.57) | NOS3NOS2ADRB1MAPK1ADRB2 | |
| SCHEMBL12153234 | 0.73 | NOS3 (0.57) | NOS3NOS2ADRB1MAPK1ADRB2 |
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-2300485-A1 | PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS | Merck Sharp & Dohme Corp. (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009152072-A1 | PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2009-12-17 | — | — | WO | disclosed |