Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 5/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | LDHB | P07195 | 4/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | DDT | P30046 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.44 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.43 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL13562415 | 0.86 | KMO (0.48) | NR1H4LDHALDHBKMODDT | |
| SCHEMBL4045846 | 0.82 | NEK2 (0.48) | NR1H4ADORA1MAP4K4 | |
| SCHEMBL1014741 | 0.82 | SLC7A5 (0.41) | ALOX5APADORA1MAP2K4DHFRFGFR3 | |
| SCHEMBL13561325 | 0.81 | AKR1C3 (0.48) | ALOX5APNR1H4LDHALDHBKMO | |
| SCHEMBL27862732 | 0.80 | ALDH1A1 (0.45) | ALOX5APADORA1DHFRFGFR3KDR | |
| SCHEMBL2393092 | 0.80 | LDHA (0.49) | NR1H4LDHALDHBKMOMAPK1 | |
| SCHEMBL5993315 | 0.79 | ADORA1 (0.67) | ADORA1KMOMAP4K4CSNK2A2CSNK2B | |
| SCHEMBL3021383 | 0.78 | ADORA1 (0.59) | ADORA1 | |
| SCHEMBL17689301 | 0.78 | ALDH1A1 (0.50) | NR1H4KMODDTMAPK1 | |
| SCHEMBL14107918 | 0.77 | KMO (0.59) | ALOX5APLDHALDHBKMOATR |
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 | ALOX5AP 3383/4885NR1H4 33/4885LDHA 3042/4885 |
| US-20130023538-A1 | Heteroaryl Derivatives as CFTR Modulators | CFTR, ABCB1, ABCD3 | ALOX5AP 3199/4885NR1H4 33/4885LDHA 3120/4885 |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | ALOX5AP 3199/4885NR1H4 33/4885LDHA 3120/4885 |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | ALOX5AP 3383/4885NR1H4 33/4885LDHA 3042/4885 |
| US-20140371230-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | ALOX5AP 3199/4885NR1H4 33/4885LDHA 3120/4885 |
“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.