Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | RPA1 | P27694 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL16517055 | 0.90 | SCN9A (0.44) | MAP3K14ALDH1A1KDM4EESR1RPA1 | |
| SCHEMBL16516630 | 0.86 | ELANE (0.47) | MAP3K14ALDH1A1KDM4EESR1RPA1 | |
| SCHEMBL16517137 | 0.84 | STAT1 (0.49) | MAP3K14ALDH1A1KDM4ERPA1STAT1 | |
| SCHEMBL16516967 | 0.82 | MAP3K14 (0.47) | MAP3K14ALDH1A1KDM4ERPA1ALKBH5 | |
| SCHEMBL16517765 | 0.82 | RPA1 (0.56) | MAP3K14ALDH1A1KDM4ERPA1PTGER1 | |
| SCHEMBL16517091 | 0.78 | MAP3K14 (0.45) | MAP3K14ALDH1A1KDM4EESR1RPA1 | |
| SCHEMBL16516889 | 0.78 | MAP3K14 (0.45) | MAP3K14ALDH1A1KDM4ERPA1POLB | |
| SCHEMBL16517038 | 0.77 | MAP3K14 (0.44) | MAP3K14ALDH1A1KDM4ERPA1PTGER1 | |
| SCHEMBL16516701 | 0.76 | ELANE (0.53) | MAP3K14ALDH1A1RPA1SMN1; SMN2ELANE | |
| SCHEMBL16517342 | 0.76 | RPA1 (0.49) | MAP3K14ALDH1A1RPA1STAT1RORC |
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 |