Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16532579 | 0.87 | MAP3K14 (0.45) | MAP3K14MPOALDH1A1HSD17B10CASP1 | |
| SCHEMBL16532612 | 0.79 | MAP3K14 (0.47) | MAP3K14MPOGSK3AGSK3BALDH1A1 | |
| SCHEMBL16517515 | 0.77 | MAP3K14 (0.47) | MAP3K14MPOALDH1A1MAPK1STAT1 | |
| SCHEMBL16517347 | 0.76 | MAP3K14 (0.44) | MAP3K14MPOGSK3AGSK3BALDH1A1 | |
| SCHEMBL18673618 | 0.76 | ELANE (0.46) | MAP3K14ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL16516642 | 0.74 | ALDH1A1 (0.47) | MAP3K14MPOALDH1A1STAT1KDM4E | |
| SCHEMBL16516723 | 0.73 | MAP3K14 (0.43) | MAP3K14MPOALDH1A1MAPK1STAT1 | |
| SCHEMBL16517506 | 0.73 | MAP3K14 (0.45) | MAP3K14MPOALDH1A1MAPK1STAT1 | |
| SCHEMBL16516816 | 0.72 | MAP3K14 (0.53) | MAP3K14 | |
| SCHEMBL16517335 | 0.72 | MAP3K14 (0.46) | MAP3K14ALDH1A1MAPK1STAT1KDM4E |
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 |