Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | EPHB3 | P54753 | 6/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16246432 | 0.81 | CFTR (0.59) | IRAK4NPC1RAB9AALDH1A1EPHB3 | |
| SCHEMBL19494889 | 0.79 | NPC1 (0.48) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL19494270 | 0.79 | RAB9A (0.48) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL19494688 | 0.77 | MAPT (0.52) | NPC1RAB9AALDH1A1KDM4EHTT | |
| SCHEMBL19494404 | 0.76 | KAT6A (0.41) | RAB9AALDH1A1KDM4ELMNAGAA | |
| SCHEMBL19494403 | 0.75 | RAB9A (0.52) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL19494581 | 0.73 | CFTR (0.47) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19494498 | 0.73 | CFTR (0.40) | RAB9AALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL19494323 | 0.72 | CHEK1 (0.37) | NPC1RAB9AALDH1A1KDM4EHTT | |
| SCHEMBL19494684 | 0.70 | NPC1 (0.46) | NPC1RAB9AALDH1A1KDM4ELMNA |
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 |