Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8927186 | 0.86 | ALDH1A1 (0.40) | ALDH1A1PKMPTGS2 | |
| SCHEMBL8926788 | 0.85 | PTGS2 (0.36) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL8925113 | 0.84 | CA12 (0.45) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL6935472 | 0.83 | SLC9A1 (0.60) | — | |
| SCHEMBL8926231 | 0.81 | RHEB (0.43) | ALDH1A1MAPTHPGD | |
| SCHEMBL8925087 | 0.80 | PDE4B (0.41) | MEN1MAPTKMT2AHPGDCA12 | |
| SCHEMBL8925003 | 0.79 | PTGS2 (0.41) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL8926763 | 0.79 | SLC9A1 (0.37) | — | |
| SCHEMBL8926916 | 0.78 | PDE7A (0.41) | PTGS2 | |
| SCHEMBL8925017 | 0.77 | KDM4E (0.39) | ALDH1A1MEN1MAPTKMT2AHPGD |
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 |