Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926231 | 0.88 | RHEB (0.43) | KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL8925113 | 0.87 | CA12 (0.45) | ALDH1A1HPGD | |
| SCHEMBL8926370 | 0.86 | SLC6A9 (0.36) | — | |
| SCHEMBL8926916 | 0.86 | PDE7A (0.41) | PTGS2PTGS1SLC9A1 | |
| SCHEMBL8926718 | 0.85 | AGBL2 (0.39) | KDM4EALDH1A1MAPTHPGDPTGS2 | |
| SCHEMBL7798515 | 0.82 | SLC9A1 (0.61) | SLC9A1 | |
| SCHEMBL8927186 | 0.81 | ALDH1A1 (0.40) | ALDH1A1PTGS2SLC9A1 | |
| SCHEMBL8925087 | 0.80 | PDE4B (0.41) | MAPTHPGDMEN1KMT2A | |
| SCHEMBL8926776 | 0.78 | PTGS1 (0.38) | PTGS2PTGS1 | |
| SCHEMBL8925101 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPTHPGDPTGS2MEN1 |
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 |