Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 11/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7307737 | 1.00 | CTSS (0.41) | CTSSCTSKRENPSMB5AAK1 | |
| SCHEMBL7307731 | 1.00 | CTSS (0.41) | CTSSCTSKRENPSMB5AAK1 | |
| SCHEMBL7435132 | 0.89 | CTSS (0.40) | CTSSCTSKRENPSMB5AAK1 | |
| SCHEMBL10424652 | 0.89 | CTSS (0.40) | CTSSCTSKRENPSMB5AAK1 | |
| SCHEMBL7367392 | 0.88 | CTSK (0.44) | CTSSCTSKRENAAK1CYP3A4 | |
| SCHEMBL9750048 | 0.88 | CTSK (0.44) | CTSSCTSKRENAAK1CYP3A4 | |
| SCHEMBL10669320 | 0.88 | CTSK (0.44) | CTSSCTSKRENAAK1CYP3A4 | |
| SCHEMBL10424653 | 0.87 | CTSS (0.43) | CTSSCTSKRENAAK1CYP3A4 | |
| SCHEMBL7273551 | 0.86 | CTSS (0.41) | CTSSCTSKRENPSMB5AAK1 | |
| SCHEMBL9533345 | 0.86 | CTSS (0.41) | CTSSCTSKRENAAK1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550924-A1 | 2-Pyrrolidinone derivatives as HIV protease inhibitors | MERCK & CO. INC. (US) | 1993-07-14 | — | — | EP | disclosed |