Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 6/20 | 0.46 |
| ▸ | PLAU | P00749 | 2/20 | 0.45 |
| ▸ | SLC9A5 | Q14940 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8609836 | 0.89 | CFTR (0.57) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9018662 | 0.87 | CES2 (0.62) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL8393438 | 0.86 | CES2 (0.60) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9018696 | 0.84 | GAA (0.51) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL8394096 | 0.83 | SLC9A1 (0.45) | CES2SLC9A1PLAUCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL8393386 | 0.83 | GAA (0.50) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1002163 | 0.81 | CES2 (0.72) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9018707 | 0.81 | SLC9A1 (0.46) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9018685 | 0.80 | CES2 (0.49) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9018705 | 0.79 | SLC9A1 (0.48) | CES2SLC9A1PLAU |
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 |
|---|---|---|---|---|---|---|---|
| EP-0743301-A2 | Benzoylguanidines containing fluorine | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |