Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7644030 | 0.91 | ALDH1A1 (0.60) | ALDH1A1MAPT | |
| SCHEMBL28804590 | 0.85 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 | |
| 4-Vinylphenol SCHEMBL482393 | 0.85 | ALDH1A1 (0.52) | ALDH1A1MAPTTHRBPOLB | |
| SCHEMBL29047980 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP2C9CYP2C19TGM2 | |
| SCHEMBL29047981 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 | |
| Styrene SCHEMBL8576362 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLB | |
| Styrene SCHEMBL35776 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLB | |
| Styrene SCHEMBL9182393 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLB | |
| Styrene SCHEMBL9639818 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLB | |
| Styrene SCHEMBL678464 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105384728-B | Epoxy carboxylic acids' ester compounds and hardening thing containing its resin combination and the resin combination | 日本化药株式会社 | 2018-12-21 | — | — | CN | disclosed |