Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926788 | 0.87 | PTGS2 (0.36) | ALDH1A1PTGS2PKM | |
| SCHEMBL8927186 | 0.85 | ALDH1A1 (0.40) | ALDH1A1ALOX15PTGS2PKM | |
| SCHEMBL8925119 | 0.84 | CA2 (0.43) | — | |
| SCHEMBL7800539 | 0.83 | — | — | |
| SCHEMBL8926718 | 0.82 | AGBL2 (0.39) | ALDH1A1PTGS2 | |
| SCHEMBL8927101 | 0.81 | CA2 (0.39) | — | |
| SCHEMBL8927147 | 0.79 | CA2 (0.39) | ALDH1A1PTGS2POLB | |
| SCHEMBL8926230 | 0.79 | CA12 (0.32) | — | |
| SCHEMBL8926691 | 0.78 | ALDH1A1 (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL8926706 | 0.78 | FLT1 (0.39) | ALDH1A1 |
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 |