Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.78 |
| ▸ | POLB | P06746 | 1/20 | 0.78 |
| ▸ | RAB9A | P51151 | 1/20 | 0.78 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.68 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.66 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.66 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.60 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.57 |
| ▸ | MTOR | P42345 | 1/20 | 0.57 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21036400 | 0.93 | NPC1 (0.72) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL17944742 | 0.90 | PDGFRB (0.63) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL19569916 | 0.89 | PIK3CD (0.64) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL30743 | 0.88 | NPC1 (1.00) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL29757180 | 0.88 | NPC1 (1.00) | NPC1POLBRAB9APIK3CDPIK3CA | |
| Quinoline SCHEMBL27808793 | 0.87 | CYP2A6 (0.70) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL22217360 | 0.87 | NPC1 (0.64) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL2772360 | 0.86 | PDGFRB (0.77) | NPC1POLBRAB9APIK3CDPIK3CA | |
| SCHEMBL32667946 | 0.86 | PDGFRB (0.77) | NPC1POLBRAB9APIK3CDPIK3CA | |
| Quinoline SCHEMBL28787459 | 0.85 | PDGFRB (0.61) | NPC1POLBRAB9APIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| US-20070148185-A1 | Novel therapeutic target for protozoal diseases | VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY | 2007-06-28 | — | — | US | disclosed |