Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 20/20 | 0.65 |
| ▸ | PGRMC1 | O00264 | 1/20 | 0.58 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | CDK4 | P11802 | 1/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.58 |
| ▸ | CCKBR | P32239 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.58 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.58 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.58 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.58 |
| ▸ | PCYT1A | P49585 | 1/20 | 0.58 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.58 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.58 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL9987824 | 0.93 | BRAF (0.75) | BRAFPGRMC1RIPK2NR1I2CDK4 | |
| SCHEMBL9987825 | 0.93 | BRAF (0.75) | BRAFPGRMC1RIPK2NR1I2CDK4 | |
| SCHEMBL14859643 | 0.91 | BRAF (0.66) | BRAFPGRMC1RIPK2NR1I2CDK4 | |
| SCHEMBL14859646 | 0.91 | BRAF (0.66) | BRAFPGRMC1RIPK2NR1I2CDK4 | |
| SCHEMBL9986809 | 0.89 | BRAF (0.64) | BRAF | |
| SCHEMBL14866063 | 0.86 | BRAF (0.73) | BRAFPGRMC1RIPK2NR1I2CDK4 | |
| SCHEMBL9987546 | 0.85 | BRAF (0.76) | BRAF | |
| SCHEMBL9987545 | 0.85 | BRAF (0.76) | BRAF | |
| SCHEMBL11982745 | 0.85 | BRAF (0.87) | BRAF | |
| SCHEMBL9987795 | 0.85 | BRAF (0.51) | BRAFPGRMC1RIPK2NR1I2CDK4 |
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-2585454-A1 | HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | Novartis AG (CH) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161216-A1 | HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2011-12-29 | — | — | WO | disclosed |