Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CTSD | P07339 | 1/20 | 0.59 |
| ▸ | CTSB | P07858 | 4/20 | 0.58 |
| ▸ | CTSL | P07711 | 4/20 | 0.58 |
| ▸ | CTSK | P43235 | 3/20 | 0.58 |
| ▸ | CTSS | P25774 | 3/20 | 0.58 |
| ▸ | CASP3 | P42574 | 2/20 | 0.56 |
| ▸ | TACR1 | P25103 | 2/20 | 0.56 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3058668 | 0.93 | ECE1 (0.61) | CTSDCTSBCTSLCTSKCTSS | |
| SCHEMBL25287172 | 0.93 | ECE1 (0.61) | CTSDCTSBCTSLCTSKCTSS | |
| SCHEMBL7269010 | 0.92 | ALDH1A1 (0.55) | ALDH1A1ALOX15CTSDCTSBCTSL | |
| SCHEMBL9416814 | 0.91 | ALDH1A1 (0.62) | ALDH1A1ALOX15CTSDCTSBCTSL | |
| SCHEMBL23234582 | 0.91 | ALDH1A1 (0.59) | ALDH1A1ALOX15CTSDCTSBCTSL | |
| SCHEMBL6269817 | 0.90 | CTSD (0.59) | ALDH1A1ALOX15CTSDCTSBCTSL | |
| SCHEMBL23269016 | 0.89 | CAPN1 (0.59) | CTSDCTSBCTSLCTSKCTSS | |
| SCHEMBL23268999 | 0.89 | CAPN1 (0.59) | CTSDCTSBCTSLCTSKCTSS | |
| SCHEMBL29480460 | 0.89 | CTSD (0.56) | CTSDCTSBCTSLCTSKCTSS | |
| SCHEMBL10084325 | 0.88 | CASP3 (0.60) | CTSDCTSBCTSLCTSKCTSS |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |