Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | AOC1 | P19801 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29765319 | 0.87 | — | — | |
| SCHEMBL295409 | 0.87 | — | — | |
| Formaldehyde SCHEMBL27932784 | 0.85 | TDP1 (0.48) | TDP1SIRT3MAPTKDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL2046987 | 0.85 | — | — | |
| Cyanide SCHEMBL27694642 | 0.81 | TDP1 (0.44) | TDP1SIRT3MAPTKDM4EALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL28254568 | 0.79 | ALDH1A1 (0.38) | TDP1SIRT3MAPTKDM4EALDH1A1 | |
| Pyridine SCHEMBL28874985 | 0.78 | TDP1 (0.42) | TDP1SIRT3MAPTKDM4EALDH1A1 | |
| Formic Acid SCHEMBL28827944 | 0.76 | GAA (0.52) | TDP1MAPTKDM4EALDH1A1MEN1 | |
| Formic Acid SCHEMBL28546527 | 0.72 | LOXL2 (0.42) | TDP1MAPTKDM4EALDH1A1MEN1 | |
| Formic Acid SCHEMBL28822762 | 0.72 | GAA (0.76) | TDP1MAPTKDM4EALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105579447-B | Ethynyl derivatives serving | 豪夫迈·罗氏有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-105579447-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2016-05-11 | — | — | CN | disclosed |