Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28796136 | 0.73 | IDO1 (0.45) | KDRAURKAPIK3R2KMT2ACDK2 | |
| SCHEMBL12765339 | 0.71 | CHEK1 (0.45) | CDK5KDRROCK1AKT1MEN1 | |
| SCHEMBL30664758 | 0.69 | TDO2 (0.43) | KDM4CCDK5CDK5R1KDRAURKA | |
| SCHEMBL28793570 | 0.68 | CDK2 (0.38) | KDRAURKACDK2 | |
| SCHEMBL6285311 | 0.68 | AURKA (0.42) | KDRAURKAADRA1DADRA1AADRA1B | |
| SCHEMBL542498 | 0.68 | — | — | |
| SCHEMBL17708578 | 0.68 | CDK5 (0.46) | KDM4CCDK5CDK5R1KDRAKT1 | |
| SCHEMBL30363113 | 0.68 | KDM4C (0.42) | KDM4CCDK5CDK5R1KDRAURKA | |
| SCHEMBL19429576 | 0.67 | KDR (0.35) | KDM4CCDK5CDK5R1KDRAURKA | |
| SCHEMBL18190394 | 0.66 | AURKA (0.34) | KDRAURKACDK2 |
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-2563123-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011137054-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |