Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.52 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 2/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7274926 | 0.86 | CTSK (0.47) | CTSKCTSBCTSLCTSSCYP1A2 | |
| SCHEMBL10716186 | 0.85 | CTSK (0.48) | CTSKCTSBCTSLCTSSREN | |
| SCHEMBL10718387 | 0.82 | CTSK (0.54) | CTSKCTSBCTSLCTSSREN | |
| SCHEMBL22225460 | 0.80 | CTSK (0.61) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL7276258 | 0.80 | CTSK (0.56) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL10717419 | 0.78 | CTSK (0.52) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL1863093 | 0.76 | CTSK (0.57) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL1863098 | 0.76 | CTSK (0.57) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL8269724 | 0.76 | CTSK (0.57) | CTSKCTSBCTSLCTSSCASP1 | |
| SCHEMBL1863096 | 0.76 | CTSK (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | claimed |
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |