Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | LAP3 | P28838 | 2/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.46 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298969 | 1.00 | NPC1 (0.51) | NPC1RAB9ABACE1CTRB1CA2 | |
| SCHEMBL7332765 | 0.97 | NPC1 (0.51) | NPC1RAB9ABACE1CTRB1CA2 | |
| SCHEMBL6445202 | 0.97 | NPC1 (0.51) | NPC1RAB9ABACE1CTRB1CA2 | |
| SCHEMBL6445073 | 0.97 | NPC1 (0.51) | NPC1RAB9ABACE1CTRB1CA2 | |
| SCHEMBL6444710 | 0.97 | NPC1 (0.51) | NPC1RAB9ABACE1CTRB1CA2 | |
| Hydrochloric Acid SCHEMBL8536633 | 0.96 | NPC1 (0.50) | NPC1RAB9ABACE1CTRB1CA2 | |
| Hydrochloric Acid SCHEMBL8535496 | 0.96 | NPC1 (0.50) | NPC1RAB9ABACE1CTRB1CA2 | |
| SCHEMBL7270703 | 0.85 | CTSD (0.68) | CA2CTSD | |
| SCHEMBL7301400 | 0.84 | CA2 (0.56) | BACE1CA2CYP3A4MAPK1 | |
| SCHEMBL7279585 | 0.83 | CA2 (0.43) | NPC1RAB9ABACE1CTRB1CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | EP | disclosed |
| 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 |