Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19407800 | 0.81 | CFTR (0.43) | CFTRKDM4EHTR2AHTR2C | |
| SCHEMBL22987089 | 0.81 | ALDH1A1 (0.50) | CFTRKDM4EGAASLC9A1ALDH1A1 | |
| SCHEMBL22987095 | 0.79 | GAA (0.60) | CFTRKDM4EGAAALDH1A1TSHR | |
| SCHEMBL10290619 | 0.78 | CFTR (0.36) | CFTRFFAR4CYP3A4 | |
| SCHEMBL10289752 | 0.75 | LMNA (0.41) | KDM4ENPC1ALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL399177 | 0.73 | CYP3A4 (0.47) | CFTRKDM4EHTR2AHTR2CGAA | |
| SCHEMBL22897594 | 0.72 | GAA (0.44) | KDM4EGAANPC1ALDH1A1CYP3A4 | |
| SCHEMBL31716006 | 0.71 | KDM4E (0.47) | CFTRKDM4EHTR2AHTR2CGAA | |
| SCHEMBL14471225 | 0.70 | POLB (0.53) | HTR2AHTR2CGAANPC1RAB9A | |
| SCHEMBL20794479 | 0.68 | L3MBTL1 (0.41) | KDM4EGAANPC1ALDH1A1L3MBTL1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2532650-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-2530075-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-2522659-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2502902-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502913-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502912-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502914-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |