Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19494912 | 0.79 | CFTR (0.40) | RAB9ACFTRNPC1MAPTLMNA | |
| SCHEMBL19494388 | 0.78 | MEN1 (0.36) | RAB9ACFTRNPC1MAPTMAPK1 | |
| SCHEMBL19494270 | 0.77 | RAB9A (0.48) | RAB9ACFTRNPC1MAPTLMNA | |
| SCHEMBL16338424 | 0.77 | CFTR (0.64) | RAB9ACFTRNPC1MAPTLMNA | |
| SCHEMBL19494707 | 0.74 | NPC1 (0.40) | RAB9ANPC1MAPTLMNASMN1; SMN2 | |
| SCHEMBL16263849 | 0.74 | CNR2 (0.42) | RAB9ANPC1MAPTLMNASMN1; SMN2 | |
| SCHEMBL16263801 | 0.72 | L3MBTL1 (0.47) | RAB9ANPC1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL16263912 | 0.71 | BCL3 (0.42) | RAB9ANPC1MAPTLMNATDP1 | |
| SCHEMBL7004222 | 0.71 | JAK2 (0.69) | IKBKB | |
| SCHEMBL6506008 | 0.69 | IKBKB (0.56) | RAB9ACFTRNPC1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014180562-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2014-11-13 | — | — | WO | disclosed |