Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RPA1 | P27694 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 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 | |
|---|---|---|---|---|
| SCHEMBL16532652 | 0.85 | ADORA1 (0.46) | MAP3K14ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL16517335 | 0.83 | MAP3K14 (0.46) | MAP3K14POLBRPA1ALKBH5ALDH1A1 | |
| SCHEMBL16517674 | 0.80 | MAP3K14 (0.49) | MAP3K14RPA1ALKBH5ALDH1A1KDM4E | |
| SCHEMBL16516737 | 0.78 | MAP3K14 (0.44) | MAP3K14POLBRPA1ALKBH5ALDH1A1 | |
| SCHEMBL16517354 | 0.76 | MAP3K14 (0.44) | MAP3K14POLBRPA1ALKBH5ALDH1A1 | |
| SCHEMBL16516950 | 0.73 | RPA1 (0.47) | MAP3K14KMT2ARPA1ALDH1A1KDM4E | |
| SCHEMBL16517091 | 0.73 | MAP3K14 (0.45) | MAP3K14RPA1ALKBH5ALDH1A1KDM4E | |
| SCHEMBL16516889 | 0.73 | MAP3K14 (0.45) | MAP3K14POLBRPA1ALKBH5ALDH1A1 | |
| SCHEMBL16516832 | 0.71 | ALDH1A1 (0.43) | POLBKMT2ARPA1ALKBH5ALDH1A1 | |
| SCHEMBL16517137 | 0.71 | STAT1 (0.49) | MAP3K14RPA1ALDH1A1KDM4ESMN1; SMN2 |
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 |