Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9646619 | 0.93 | CTSK (0.41) | CTSKCTSSALDH1A1KMT2AREN | |
| SCHEMBL9647172 | 0.91 | CTSK (0.36) | CTSKCTSSRENHDAC4HDAC1 | |
| SCHEMBL9646152 | 0.90 | CTSK (0.46) | CTSKCTSSKMT2ARENHDAC4 | |
| SCHEMBL9646330 | 0.85 | CTSS (0.43) | CTSKCTSSKMT2ARENHDAC4 | |
| SCHEMBL9646563 | 0.79 | CTSK (0.40) | CTSKCTSSALDH1A1KMT2AREN | |
| SCHEMBL9646634 | 0.77 | CTSK (0.40) | CTSKCTSSALDH1A1KMT2AREN | |
| SCHEMBL9646158 | 0.76 | CTSK (0.42) | CTSKCTSSKMT2ARENHDAC4 | |
| SCHEMBL9646628 | 0.76 | HDAC4 (0.41) | CTSKCTSSRENHDAC4HDAC1 | |
| SCHEMBL9647869 | 0.74 | CTSK (0.53) | CTSKCTSSKMT2ARENHDAC4 | |
| SCHEMBL7276637 | 0.74 | CTSK (0.53) | CTSKCTSSKMT2ARENHDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5147867-A | Bactericides, (carba)penicillins | MERCK & CO., INC. (US) | 1992-09-15 | — | — | US | disclosed |
| US-5145990-A | Dehydropeptidase, carbapenicillin potentiation | MERCK & CO., INC. (US) | 1992-09-08 | — | — | US | disclosed |
| US-4962097-A | IN COMBINATION WITH A CARBAPENEM OR PENEM ANTIBIOTIC | MERCK & CO., INC. (US) | 1990-10-09 | — | — | US | disclosed |
| EP-0366469-A2 | Phosphorus containing enzyme inhibitors | MERCK & CO. INC. (US) | 1990-05-02 | — | — | EP | disclosed |