Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 4/20 | 0.41 |
| ▸ | RPA1 | P27694 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16517391 | 0.87 | ELANE (0.47) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16516955 | 0.87 | ELANE (0.41) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16517435 | 0.85 | PDE4A (0.39) | RPA1NPBWR1MEN1KMT2AGAA | |
| SCHEMBL16516510 | 0.83 | ELANE (0.38) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16516401 | 0.83 | PDE4A (0.44) | ELANERPA1MEN1KMT2AALDH1A1 | |
| SCHEMBL16532430 | 0.80 | MAP3K14 (0.44) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16517124 | 0.78 | RPA1 (0.39) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16517797 | 0.77 | RPA1 (0.52) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16516399 | 0.76 | RPA1 (0.46) | ELANERPA1NPBWR1MEN1KMT2A | |
| SCHEMBL16516701 | 0.76 | ELANE (0.53) | ELANERPA1ALDH1A1L3MBTL1CYP1A2 |
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 |