Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8396 | 0.90 | CES1 (0.44) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL24728745 | 0.90 | CES1 (0.44) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL1616718 | 0.88 | CES1 (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL23360898 | 0.88 | CES1 (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| Methylene Chloride SCHEMBL28208571 | 0.87 | ALDH1A1 (0.45) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL23360900 | 0.86 | CA2 (0.41) | CES1ALDH1A1CES2TSHRDAO | |
| Acetone SCHEMBL28190449 | 0.85 | CES2 (0.43) | CES1ALDH1A1CES2TSHRDAO | |
| Acetonitrile SCHEMBL28134911 | 0.81 | MAPT (0.38) | CES1ALDH1A1CES2TSHRDAO | |
| Alcohol SCHEMBL28412495 | 0.81 | CES1 (0.41) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL484049 | 0.80 | TP53 (0.35) | CES1CES2TSHRGSK3BMAPT |
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-1999029172-A1 | COMPOSITIONS AND METHODS FOR DETECTING AND KILLING TERMITES | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITYAND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 1999-06-17 | — | — | WO | disclosed |