Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPA1 | P27694 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516840 | 0.91 | RPA1 (0.56) | RPA1ALDH1A1KMT2AMAP3K14ELANE | |
| SCHEMBL16517329 | 0.90 | ELANE (0.56) | RPA1ALDH1A1MAP3K14ELANESMN1; SMN2 | |
| SCHEMBL16516420 | 0.82 | MAP3K14 (0.43) | RPA1ALDH1A1MAP3K14ELANESMN1; SMN2 | |
| SCHEMBL16516970 | 0.82 | MAP3K14 (0.47) | RPA1ALDH1A1KMT2AMAP3K14ELANE | |
| SCHEMBL16517137 | 0.81 | STAT1 (0.49) | RPA1ALDH1A1MAP3K14SMN1; SMN2KDM4E | |
| SCHEMBL16517679 | 0.81 | ELANE (0.62) | RPA1ALDH1A1MAP3K14ELANESMN1; SMN2 | |
| SCHEMBL16516967 | 0.79 | MAP3K14 (0.47) | RPA1ALDH1A1MAP3K14ELANECNR2 | |
| SCHEMBL16516950 | 0.78 | RPA1 (0.47) | RPA1ALDH1A1KMT2AMAP3K14SMN1; SMN2 | |
| SCHEMBL16517342 | 0.78 | RPA1 (0.49) | RPA1ALDH1A1KMT2AMAP3K14PKM | |
| SCHEMBL16516889 | 0.78 | MAP3K14 (0.45) | RPA1ALDH1A1MAP3K14SMN1; SMN2PKM |
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 |