Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742824 | 1.00 | NPC1 (0.51) | NPC1RAB9AMAPTLMNAALDH1A1 | |
| SCHEMBL7316559 | 0.86 | BCHE (0.58) | BCHEBACE1 | |
| SCHEMBL7302197 | 0.83 | BCHE (0.55) | BCHEBACE1 | |
| SCHEMBL6448790 | 0.81 | NPC1 (0.60) | NPC1RAB9ALMNACTRB1CA2 | |
| SCHEMBL8840299 | 0.80 | BACE1 (0.40) | NPC1RAB9AMAPTLMNAALDH1A1 | |
| SCHEMBL8432604 | 0.80 | NAALAD2 (0.60) | ALDH1A1 | |
| SCHEMBL7264947 | 0.80 | NAALAD2 (0.60) | ALDH1A1 | |
| SCHEMBL7547746 | 0.80 | LAP3 (0.49) | NPC1RAB9AMAPTLMNACTRB1 | |
| SCHEMBL6430008 | 0.80 | LAP3 (0.49) | NPC1RAB9AMAPTLMNACTRB1 | |
| SCHEMBL4957679 | 0.79 | CA2 (0.43) | NPC1RAB9AMAPTBCHEBACE1 |
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 |