Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 2/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884802 | 0.83 | HTR2C (0.46) | ALDH1A1 | |
| SCHEMBL9442414 | 0.80 | NPC1 (0.66) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL9442430 | 0.80 | NPC1 (0.66) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL1709747 | 0.80 | GAA (0.48) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL19729104 | 0.79 | NPC1 (0.51) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL3278479 | 0.77 | NPC1 (0.66) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL9681025 | 0.76 | NPC1 (0.56) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL8939442 | 0.76 | NPC1 (0.56) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL8939445 | 0.76 | NPC1 (0.56) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL17877760 | 0.75 | CETP (0.47) | NPC1RAB9APDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0123238-A2 | Naphthoquinone derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-10-31 | — | — | EP | disclosed |