Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9018706 | 0.94 | PTGS1 (0.38) | HDAC3HDAC1HDAC2PTGS1PTGS2 | |
| SCHEMBL8609393 | 0.94 | HDAC3 (0.38) | MRGPRX4HDAC3HDAC1HDAC2NOS3 | |
| SCHEMBL8614188 | 0.92 | MRGPRX4 (0.40) | MRGPRX4NOS3NOS1NOS2KDM4E | |
| SCHEMBL9018723 | 0.87 | PRSS1 (0.40) | HDAC3HDAC1HDAC2NOS3NOS1 | |
| SCHEMBL9018679 | 0.86 | NOS3 (0.40) | NOS3NOS1NOS2KDM4EGAA | |
| SCHEMBL8612587 | 0.85 | CFTR (0.48) | MRGPRX4CFTR | |
| SCHEMBL8610216 | 0.80 | MRGPRX4 (0.39) | MRGPRX4KDM4EKMT2ACFTR | |
| SCHEMBL8610122 | 0.80 | SLC9A1 (0.40) | MRGPRX4CFTR | |
| SCHEMBL8612829 | 0.79 | CFTR (0.46) | MRGPRX4CFTR | |
| SCHEMBL12818154 | 0.79 | MRGPRX4 (0.46) | MRGPRX4HDAC3HDAC1HDAC2KDM4E |
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 |