Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8536811 | 0.92 | CTSD (0.40) | CTSDCA2BACE1 | |
| SCHEMBL7268801 | 0.90 | KLK5 (0.48) | BACE1 | |
| Hydrochloric Acid SCHEMBL7268913 | 0.85 | BACE1 (0.43) | BACE1BCHE | |
| SCHEMBL7279703 | 0.80 | CA12 (0.47) | CA2 | |
| SCHEMBL7270211 | 0.74 | CA12 (0.45) | CA2 | |
| SCHEMBL10317146 | 0.74 | CA12 (0.53) | CA2 | |
| SCHEMBL6446490 | 0.73 | NPC1 (0.51) | CTSDCA2BACE1NPC1RAB9A | |
| SCHEMBL7298969 | 0.73 | NPC1 (0.51) | CTSDCA2BACE1NPC1RAB9A | |
| SCHEMBL7269992 | 0.72 | CTSD (0.61) | CTSDCA2BACE1PSMB5 | |
| SCHEMBL19954666 | 0.71 | CTRB1 (0.54) | NPC1RAB9A |
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 |