Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 17/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL12217308 | 0.92 | CFTR (0.63) | CFTRHDAC1 | |
| SCHEMBL12217667 | 0.90 | CFTR (0.69) | CFTRHDAC1 | |
| SCHEMBL12231531 | 0.87 | HDAC1 (0.68) | CFTRHDAC1RAB9ANPC1 | |
| SCHEMBL12231481 | 0.86 | CFTR (0.71) | CFTRHDAC1SMN1; SMN2 | |
| SCHEMBL16348476 | 0.86 | CFTR (0.71) | CFTRHDAC1 | |
| SCHEMBL12218071 | 0.84 | CFTR (0.59) | CFTRHDAC1 | |
| SCHEMBL12218445 | 0.84 | CFTR (0.61) | CFTRHDAC1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL12217669 | 0.84 | CFTR (0.66) | CFTRHDAC1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL12218651 | 0.83 | CFTR (0.60) | CFTRHDAC1 | |
| SCHEMBL1014057 | 0.83 | CFTR (0.57) | CFTRHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103214450-A | Modulators of atp-binding cassette transporters | VERTEX PHARMA | 2013-07-24 | — | — | CN | disclosed |
| EP-2016065-B1 | 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | VERTEX PHARMA (US) | 2012-09-19 | — | — | EP | disclosed |
| CN-101395147-A | 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis | VERTEX PHARMA (US) | 2009-03-25 | — | — | CN | disclosed |
| EP-2016065-A2 | 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2009-01-21 | — | — | EP | disclosed |