Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.43 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24524132 | 0.85 | NPC1 (0.51) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL5024448 | 0.85 | NPC1 (0.51) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL14113414 | 0.83 | CCNA2 (0.47) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL3303309 | 0.83 | CCNA2 (0.47) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL3303305 | 0.83 | CCNA2 (0.47) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL9870878 | 0.83 | SLC6A2 (0.58) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL637532 | 0.80 | NPC1 (0.66) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL918204 | 0.80 | NPC1 (0.66) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL3302158 | 0.79 | KDM4E (0.57) | NPC1RAB9A | |
| SCHEMBL3302163 | 0.79 | KDM4E (0.57) | NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175319-A | Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix | BURROUGHS WELLCOME CO. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5053432-A | Antiprotozoa agents; treatment of malaria | BURROUGHS WELLCOME CO. (US) | 1991-10-01 | — | — | US | disclosed |
| EP-0123238-B1 | NAPHTHOQUINONE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-06-10 | — | — | EP | disclosed |