Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16163308 | 0.77 | NPC1 (0.43) | BCHENPC1RAB9ABACE1CTRB1 | |
| SCHEMBL20474496 | 0.75 | BCHE (0.46) | BCHENPC1RAB9ABACE1CTSL | |
| SCHEMBL20474495 | 0.75 | BCHE (0.46) | BCHENPC1RAB9ABACE1CTSL | |
| SCHEMBL4687328 | 0.75 | NPC1 (0.50) | BCHENPC1RAB9ACTRB1 | |
| SCHEMBL6942553 | 0.74 | NPC1 (0.45) | NPC1RAB9ABACE1CTRB1L3MBTL1 | |
| SCHEMBL6942559 | 0.74 | NPC1 (0.45) | NPC1RAB9ABACE1CTRB1L3MBTL1 | |
| SCHEMBL6945454 | 0.74 | NPC1 (0.45) | NPC1RAB9ABACE1CTRB1L3MBTL1 | |
| SCHEMBL6942561 | 0.74 | NPC1 (0.45) | NPC1RAB9ABACE1CTRB1L3MBTL1 | |
| SCHEMBL3627449 | 0.74 | NPC1 (0.56) | NPC1RAB9ACTRB1 | |
| SCHEMBL4687372 | 0.74 | NPC1 (0.56) | 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-0665215-A1 | 1,4-Diamino-2,3-dihydroxybutanes | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-08-02 | — | — | EP | disclosed |
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| WO-1991018866-A2 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |