Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADH5 | P11766 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13562413 | 0.84 | NTRK1 (0.48) | NEK2RARARARBRARGKDM4E | |
| SCHEMBL4052604 | 0.82 | ALOX5AP (0.49) | MAP4K4ADORA1NR1H4 | |
| SCHEMBL22097644 | 0.81 | PDK1 (0.47) | NEK2RARARARBRARGKDM4E | |
| SCHEMBL1014989 | 0.80 | CA12 (0.47) | NEK2ADORA1ADORA2AKMT2A | |
| SCHEMBL21121007 | 0.80 | KMT2A (0.47) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL3021383 | 0.80 | ADORA1 (0.59) | ADORA1ADORA2A | |
| SCHEMBL18762865 | 0.79 | RAB9A (0.48) | NEK2RARARARBRARGKDM4E | |
| SCHEMBL13561324 | 0.79 | RARA (0.43) | NEK2MAP4K4CSNK2A1RARARARB | |
| SCHEMBL27862737 | 0.78 | ALDH1A1 (0.46) | NEK2ADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL21121003 | 0.78 | JAK2 (0.53) | KDM4EALDH1A1GAAHPGDMAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271622-B1 | Heteroaryl derivatives as CFTR Modulators | VERTEX PHARMA (US) | 2017-10-04 | — | — | EP | disclosed |
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | US | disclosed |
| US-9504683-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-09-24 | — | — | US | disclosed |
| US-9079916-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140371230-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-12-18 | — | — | US | disclosed |
| US-8796312-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-05 | — | — | US | disclosed |
| US-20130023538-A1 | Heteroaryl Derivatives as CFTR Modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-24 | — | — | US | disclosed |
| US-8299099-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-30 | — | — | US | disclosed |
| WO-2009108657-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-03 | — | — | WO | disclosed |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-09-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | NEK2 4219/4885MAP4K4 4586/4885CSNK2A1 3292/4885 |
| US-20130023538-A1 | Heteroaryl Derivatives as CFTR Modulators | CFTR, ABCB1, ABCD3 | NEK2 4200/4885MAP4K4 4487/4885CSNK2A1 3246/4885 |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | NEK2 4200/4885MAP4K4 4487/4885CSNK2A1 3246/4885 |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | NEK2 4219/4885MAP4K4 4586/4885CSNK2A1 3292/4885 |
| US-20140371230-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | NEK2 4200/4885MAP4K4 4487/4885CSNK2A1 3246/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.