Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7110299 | 0.74 | NPC1 (0.42) | NPC1RAB9AKMT2ATBXAS1 | |
| SCHEMBL6281989 | 0.73 | NPC1 (0.47) | NPC1RAB9AKMT2ATBXAS1HSPA5 | |
| SCHEMBL7899576 | 0.72 | NPC1 (0.38) | NPC1RAB9AKMT2ATBXAS1HSPA5 | |
| SCHEMBL7196095 | 0.71 | NPC1 (0.46) | NPC1RAB9AKMT2ATBXAS1HSPA5 | |
| SCHEMBL28326469 | 0.71 | — | — | |
| SCHEMBL2876897 | 0.70 | SMN1; SMN2 (0.51) | NPC1RAB9AKMT2AHSPA5 | |
| SCHEMBL11652088 | 0.70 | PDE4A (0.42) | NPC1RAB9AKMT2A | |
| SCHEMBL6666888 | 0.70 | NPC1 (0.49) | NPC1RAB9AKMT2AHSPA5 | |
| SCHEMBL1261544 | 0.70 | — | — | |
| SCHEMBL7797221 | 0.70 | NPC1 (0.44) | NPC1RAB9AKMT2ATBXAS1HSPA5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643685-B1 | PALLADIUM CATALYZED ADDITION OF AMINES TO 3,4-EPOXY-1-BUTENE | EASTMAN CHEM CO (US) | 1997-01-22 | — | — | EP | disclosed |