Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13244853 | 1.00 | NPC1 (0.51) | NPC1KMT2AHIF1AEPAS1MAPK1 | |
| SCHEMBL15375340 | 1.00 | NPC1 (0.51) | NPC1KMT2AHIF1AEPAS1MAPK1 | |
| SCHEMBL3012101 | 1.00 | NPC1 (0.51) | NPC1KMT2AHIF1AEPAS1MAPK1 | |
| SCHEMBL1101249 | 0.97 | NPC1 (0.54) | NPC1KMT2AHIF1AEPAS1MAPK1 | |
| SCHEMBL9925870 | 0.94 | KMT2A (0.51) | NPC1KMT2AHIF1AEPAS1 | |
| SCHEMBL13267032 | 0.94 | KDM4E (0.52) | NPC1KMT2AHIF1AEPAS1ALDH1A1 | |
| SCHEMBL14400854 | 0.94 | KMT2A (0.51) | NPC1KMT2AHIF1AEPAS1 | |
| SCHEMBL13245569 | 0.94 | KDM4E (0.52) | NPC1KMT2AHIF1AEPAS1ALDH1A1 | |
| SCHEMBL1109224 | 0.94 | KMT2A (0.51) | NPC1KMT2AHIF1AEPAS1 | |
| SCHEMBL13267374 | 0.92 | ALDH1A1 (0.50) | NPC1KMT2AHIF1AEPAS1MAPK1 |
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-2662353-A2 | Antibacterial agents | Achaogen, Inc. (US) | 2013-11-13 | — | — | EP | disclosed |