Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL3227067 | 0.88 | CES2 (0.68) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2856806 | 0.87 | TDP1 (0.44) | CES2ALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL2856986 | 0.87 | CES2 (0.72) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9018685 | 0.83 | CES2 (0.49) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30738533 | 0.83 | CES2 (0.49) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL16954829 | 0.80 | CES2 (0.52) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5323409 | 0.79 | CES2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL12095449 | 0.79 | CES2 (0.55) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL24720949 | 0.77 | JAK2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL11298443 | 0.77 | KDM4E (0.46) | CES2KDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5747539-A | Fluorine-containing benzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-05 | — | — | US | disclosed |