Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.56 |
| ▸ | CTSB | P07858 | 3/20 | 0.56 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CTSS | P25774 | 2/20 | 0.56 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277348 | 0.85 | CYP3A4 (0.43) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL22225460 | 0.82 | CTSK (0.61) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL7352077 | 0.82 | TRPM8 (0.57) | CTSKCTSBCTSLCTSSALDH1A1 | |
| SCHEMBL7299710 | 0.81 | CTSK (0.65) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL7331686 | 0.81 | CTSK (0.65) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL10718604 | 0.80 | CTSK (0.52) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL4622697 | 0.80 | CTSK (0.67) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL4800376 | 0.80 | CTSK (0.67) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL28546631 | 0.80 | CTSK (0.67) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL9402892 | 0.79 | CTSB (0.57) | CTSKCTSBCTSLCTSSCASP1 |
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 7 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 |
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |
| EP-0209848-A2 | Enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |