Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.45 |
| ▸ | REN | P00797 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9579040 | 0.93 | CASP3 (0.46) | CASP3CASP7CTSLCTSBCTSS | |
| SCHEMBL7411626 | 0.85 | CASP1 (0.47) | CASP3CASP7RENCA2ELANE | |
| SCHEMBL8492203 | 0.84 | CTSD (0.54) | CASP3CASP7CTSLCTSBCTSS | |
| SCHEMBL8366143 | 0.83 | CTSD (0.45) | CASP3CASP7CTSD | |
| SCHEMBL8364492 | 0.82 | CTSD (0.48) | CASP3CASP7CTSDRENELANE | |
| SCHEMBL7415829 | 0.81 | CTSB (0.56) | CASP3CTSLCTSBCTSSREN | |
| SCHEMBL7420909 | 0.81 | CTSB (0.56) | CASP3CTSLCTSBCTSSREN | |
| SCHEMBL7420907 | 0.81 | CTSB (0.56) | CASP3CTSLCTSBCTSSREN | |
| SCHEMBL7414133 | 0.81 | CTSB (0.56) | CASP3CTSLCTSBCTSSREN | |
| SCHEMBL7410781 | 0.81 | CASP1 (0.52) | CASP3CASP7CTSLCTSBCTSS |
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-5256677-A | Enzyme inhibitor for treating acquired immune deficiency syndrome | ABBOTT LABORATORIES (US) | 1993-10-26 | — | — | US | disclosed |
| WO-1992017176-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-10-15 | — | — | WO | disclosed |
| US-5151438-A | Enzyme inhibitors for treatment of aids | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |