Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12812535 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL30983118 | 0.75 | ALDH1A1 (0.40) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL8570960 | 0.73 | CHRM2 (0.45) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| Furfuryl Alcohol SCHEMBL1436757 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| Furfuryl Alcohol SCHEMBL37326 | 0.72 | — | — | |
| Furfuryl Alcohol SCHEMBL28270671 | 0.71 | — | — | |
| SCHEMBL275345 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL8569587 | 0.71 | GAA (0.41) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL8570516 | 0.71 | GAA (0.41) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| Furfuryl Alcohol SCHEMBL5035658 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1MAPTPOLB |
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-105985218-A | Method and application of reaction of carboxylate or carboxylic acid and water for synthesizing acyloin and alcohol (ketone) organics | 李坚 | 2016-10-05 | — | — | CN | claimed |
| CN-105985218-A | Method and application of reaction of carboxylate or carboxylic acid and water for synthesizing acyloin and alcohol (ketone) organics | 李坚 | 2016-10-05 | — | — | CN | disclosed |