Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | CFTR | P13569 | 17/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12189270 | 0.83 | CFTR (0.55) | CFTR | |
| SCHEMBL12188994 | 0.83 | CFTR (0.63) | CFTR | |
| SCHEMBL1721485 | 0.83 | CFTR (0.55) | CFTRHDAC1 | |
| SCHEMBL1721751 | 0.83 | CFTR (0.57) | CFTRHDAC1 | |
| SCHEMBL12189020 | 0.83 | CFTR (0.55) | CFTR | |
| SCHEMBL1684388 | 0.82 | CFTR (0.60) | CFTRHDAC1 | |
| SCHEMBL29575546 | 0.82 | CFTR (0.60) | CFTRHDAC1 | |
| SCHEMBL4108961 | 0.82 | CFTR (0.62) | NPC1RAB9AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL12189173 | 0.82 | CFTR (0.53) | CFTR | |
| SCHEMBL12188835 | 0.82 | CFTR (0.64) | CFTR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2774925-B1 | Heterocyclic modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-12-28 | — | — | EP | disclosed |
| EP-2774925-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2014-09-10 | — | — | EP | disclosed |
| EP-2395002-B1 | PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. | VERTEX PHARMA (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-1945632-B1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2013-09-18 | — | — | EP | disclosed |
| EP-2404919-B1 | Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. | VERTEX PHARMA (US) | 2013-08-21 | — | — | EP | disclosed |
| CN-101356170-B | Heterocyclic modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-09-26 | — | — | CN | disclosed |
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |
| CN-101356170-A | Heterocyclic modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2009-01-28 | — | — | CN | disclosed |