Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6448962 | 0.81 | NPC1 (0.51) | NPC1RAB9ALMNACA2CTRB1 | |
| SCHEMBL9742824 | 0.81 | NPC1 (0.51) | NPC1RAB9ALMNACA2CTRB1 | |
| SCHEMBL7270681 | 0.78 | CTRB1 (0.58) | NPC1RAB9ALMNACTRB1 | |
| SCHEMBL1741997 | 0.77 | NPC1 (0.60) | NPC1RAB9A | |
| SCHEMBL19954666 | 0.77 | CTRB1 (0.54) | NPC1RAB9ALMNACTRB1 | |
| SCHEMBL6445073 | 0.77 | NPC1 (0.51) | NPC1RAB9ALMNACA2CYP3A4 | |
| SCHEMBL6444710 | 0.77 | NPC1 (0.51) | NPC1RAB9ALMNACA2CYP3A4 | |
| SCHEMBL7332765 | 0.77 | NPC1 (0.51) | NPC1RAB9ALMNACA2CYP3A4 | |
| SCHEMBL6445202 | 0.77 | NPC1 (0.51) | NPC1RAB9ALMNACA2CYP3A4 | |
| SCHEMBL6931878 | 0.77 | CTRB1 (0.59) | NPC1RAB9ACTRB1 |
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 4 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-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 |