Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.45 |
| ▸ | RAB9A | P51151 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19494889 | 0.86 | NPC1 (0.48) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494717 | 0.86 | NPC1 (0.46) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494434 | 0.85 | NPC1 (0.45) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494684 | 0.84 | NPC1 (0.46) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494729 | 0.82 | NPC1 (0.42) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494346 | 0.81 | RAB9A (0.41) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494348 | 0.80 | NPC1 (0.47) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494506 | 0.80 | NPC1 (0.49) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL19494380 | 0.79 | NPC1 (0.44) | NPC1RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL16246520 | 0.78 | CFTR (0.48) | NPC1RAB9AKDM4ELMNAALDH1A1 |
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-2994463-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2017-10-25 | — | — | EP | disclosed |