Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8926718 | 0.89 | AGBL2 (0.39) | ALDH1A1CYP2C9CYP2C19KDM4EMAPT | |
| SCHEMBL8925119 | 0.89 | CA2 (0.43) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8926691 | 0.88 | ALDH1A1 (0.36) | ALDH1A1CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL27364824 | 0.87 | SLC6A2 (0.41) | FLT1FLT4KDRCA12CA1 | |
| SCHEMBL8926231 | 0.85 | RHEB (0.43) | PTGDR2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL6932531 | 0.84 | — | — | |
| SCHEMBL8926788 | 0.81 | PTGS2 (0.36) | ALDH1A1LMNAMAPTHPGDCA12 | |
| SCHEMBL8927101 | 0.81 | CA2 (0.39) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8926714 | 0.80 | PTGS1 (0.36) | ALDH1A1CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL8926230 | 0.79 | CA12 (0.32) | CA12CA1CA2CA6CA7 |
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 |