Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926763 | 0.86 | SLC9A1 (0.37) | — | |
| SCHEMBL8927147 | 0.86 | CA2 (0.39) | PTGS2PTGS1ALDH1A1CA2MAPT | |
| SCHEMBL7802693 | 0.83 | SLC9A1 (0.57) | — | |
| SCHEMBL8925113 | 0.81 | CA12 (0.45) | ALDH1A1CA2HPGD | |
| SCHEMBL8926916 | 0.80 | PDE7A (0.41) | PTGS2PTGS1PDE7A | |
| SCHEMBL8925101 | 0.79 | ALDH1A1 (0.37) | PTGS2ALDH1A1CA2MAPTMEN1 | |
| SCHEMBL8927186 | 0.78 | ALDH1A1 (0.40) | PTGS2ALDH1A1 | |
| SCHEMBL8926776 | 0.78 | PTGS1 (0.38) | PTGS2PTGS1 | |
| SCHEMBL8926231 | 0.75 | RHEB (0.43) | ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL8925087 | 0.75 | PDE4B (0.41) | CA2MAPTMEN1GAAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1058001-C | 4-Mercaptobenzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 2000-11-01 | — | — | CN | disclosed |
| US-5696167-A | 4-mercaptobenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-09 | — | — | US | disclosed |
| CN-1134413-A | 4-Mercaptobenzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 1996-10-30 | — | — | CN | disclosed |