Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516710 | 0.90 | MAP3K14 (0.43) | MAP3K14KDM4EALDH1A1MAPK1POLB | |
| SCHEMBL16516726 | 0.86 | MAP3K14 (0.42) | MAP3K14KDM4EALDH1A1MAPK1RIPK1 | |
| SCHEMBL16516700 | 0.84 | STAT1 (0.49) | MAP3K14KDM4EALDH1A1MAPK1STAT1 | |
| SCHEMBL16517506 | 0.81 | MAP3K14 (0.45) | MAP3K14KDM4EALDH1A1MAPK1POLB | |
| SCHEMBL16516723 | 0.79 | MAP3K14 (0.43) | MAP3K14KDM4EALDH1A1MAPK1POLB | |
| SCHEMBL16517515 | 0.78 | MAP3K14 (0.47) | MAP3K14KDM4EALDH1A1MAPK1POLB | |
| SCHEMBL16517277 | 0.76 | ELANE (0.43) | MAP3K14KDM4EALDH1A1MAPK1NPY5R | |
| SCHEMBL16532612 | 0.75 | MAP3K14 (0.47) | MAP3K14KDM4EALDH1A1MAPK1POLB | |
| SCHEMBL16516642 | 0.75 | ALDH1A1 (0.47) | MAP3K14KDM4EALDH1A1POLBSTAT1 | |
| SCHEMBL16517440 | 0.73 | SCN9A (0.57) | MAP3K14 |
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 |