Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL58595 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPK1TDP1TSHRCES2 | |
| Formic Acid SCHEMBL7160950 | 0.85 | CES2 (0.44) | ALDH1A1MAPK1TDP1TSHRCES2 | |
| Acetaldehyde SCHEMBL5163139 | 0.85 | CES2 (0.44) | ALDH1A1MAPK1TDP1TSHRCES2 | |
| SCHEMBL472891 | 0.82 | CES2 (0.48) | ALDH1A1TSHRCES2CES1AKT1 | |
| SCHEMBL2905282 | 0.82 | — | — | |
| SCHEMBL1331472 | 0.82 | — | — | |
| Benzene SCHEMBL28197619 | 0.82 | CES2 (0.48) | ALDH1A1TSHRCES2CES1AKT1 | |
| SCHEMBL6577 | 0.82 | — | — | |
| Hydrogen Peroxide SCHEMBL7249472 | 0.82 | CES2 (0.48) | ALDH1A1TSHRCES2CES1AKT1 | |
| SCHEMBL3267692 | 0.82 | CES2 (0.48) | ALDH1A1TSHRCES2CES1AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017127728-A1 | OZONE-ACTIVATED NANOPOROUS GOLD AND METHODS OF ITS USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-07-27 | — | — | WO | disclosed |