Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | RPA1 | P27694 | 1/20 | 0.41 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NNMT | P40261 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516512 | 0.90 | RPA1 (0.47) | EGFRRPA1MAP3K14ERBB2RAB9A | |
| SCHEMBL16517584 | 0.83 | PDE4A (0.39) | EGFRRPA1MAP3K14PDE4ANPBWR1 | |
| SCHEMBL16517472 | 0.80 | MAP3K14 (0.57) | EGFRRPA1MAP3K14RAB9ASMN1; SMN2 | |
| SCHEMBL16516399 | 0.78 | RPA1 (0.46) | EGFRRPA1MAP3K14ERBB2RAB9A | |
| SCHEMBL16517124 | 0.76 | RPA1 (0.39) | EGFRRPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16516970 | 0.75 | MAP3K14 (0.47) | EGFRRPA1MAP3K14ERBB2RAB9A | |
| SCHEMBL16517027 | 0.73 | CHEK1 (0.46) | EGFRRPA1SMN1; SMN2NPBWR1MEN1 | |
| SCHEMBL16516962 | 0.72 | MAP3K14 (0.56) | EGFRRPA1MAP3K14ERBB2RAB9A | |
| SCHEMBL16517114 | 0.72 | PDE4A (0.46) | EGFRRPA1RAB9APDE4AMEN1 | |
| SCHEMBL16516862 | 0.72 | PDE4A (0.51) | EGFRRPA1MAP3K14PDE4AMEN1 |
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-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |