Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9646165 | 0.93 | CTSK (0.45) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL9646634 | 0.90 | CTSK (0.40) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL9646603 | 0.89 | CTSS (0.42) | CTSSCTSKAAK1REN | |
| SCHEMBL9647180 | 0.87 | CTSK (0.36) | CTSSCTSKHDAC4HDAC1HDAC6 | |
| SCHEMBL9646563 | 0.84 | CTSK (0.40) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL9646949 | 0.79 | CTSK (0.52) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL9646330 | 0.78 | CTSS (0.43) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL9646336 | 0.76 | CTSS (0.37) | CTSSCTSKAAK1HDAC4HDAC1 | |
| SCHEMBL7274679 | 0.76 | REN (0.55) | REN | |
| SCHEMBL7334369 | 0.75 | REN (0.32) | CTSSCTSKRENKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0366469-A2 | Phosphorus containing enzyme inhibitors | MERCK & CO. INC. (US) | 1990-05-02 | — | — | EP | disclosed |