Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 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 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RPA1 | P27694 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516438 | 0.90 | MAP3K14 (0.56) | MAP3K14MPOSMN1; SMN2L3MBTL1RAB9A | |
| SCHEMBL16516971 | 0.90 | ELANE (0.48) | ALDH1A1KMT2AMAP3K14KDM4EMAPT | |
| SCHEMBL16516840 | 0.86 | RPA1 (0.56) | ALDH1A1KMT2AMAP3K14KDM4EMAPT | |
| SCHEMBL16517515 | 0.82 | MAP3K14 (0.47) | ALDH1A1KMT2AMAP3K14KDM4EMPO | |
| SCHEMBL16516700 | 0.81 | STAT1 (0.49) | ALDH1A1MAP3K14KDM4EMPOSTAT1 | |
| SCHEMBL16517113 | 0.81 | MAP3K14 (0.47) | ALDH1A1KMT2AMAP3K14KDM4EMAPT | |
| SCHEMBL16532612 | 0.80 | MAP3K14 (0.47) | ALDH1A1KMT2AMAP3K14KDM4EMPO | |
| SCHEMBL16517506 | 0.78 | MAP3K14 (0.45) | ALDH1A1KMT2AMAP3K14KDM4EHTT | |
| SCHEMBL16516710 | 0.77 | MAP3K14 (0.43) | ALDH1A1MAP3K14KDM4EMAPTMPO | |
| SCHEMBL16517765 | 0.77 | RPA1 (0.56) | ALDH1A1KMT2AMAP3K14KDM4EMAPT |
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 |