Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | GFER | P55789 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 3/20 | 0.46 |
| ▸ | TYK2 | P29597 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | POLQ | O75417 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13561336 | 0.84 | ALDH1A1 (0.45) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL13694518 | 0.84 | KCNH2 (0.44) | ALDH1A1POLQPTGS1PTGS2 | |
| SCHEMBL13562424 | 0.83 | MAOA (0.50) | PTGS2 | |
| SCHEMBL2595955 | 0.77 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL646470 | 0.74 | PLK4 (0.46) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL4435163 | 0.73 | ALDH1A1 (0.69) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL15306545 | 0.73 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL15308589 | 0.72 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1HPGDGFER | |
| Hydrochloric Acid SCHEMBL29512216 | 0.72 | ALDH1A1 (0.67) | ALDH1A1RAB9ANPC1HPGDGFER | |
| SCHEMBL312769 | 0.71 | RAB9A (0.56) | ALDH1A1RAB9ANPC1HPGDGFER |
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 10 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-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 |
| 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 (4 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 | ALDH1A1 2397/4885RAB9A 1232/4885NPC1 21/4885 |
| US-20130023538-A1 | Heteroaryl Derivatives as CFTR Modulators | CFTR, ABCB1, ABCD3 | ALDH1A1 2244/4885RAB9A 1266/4885NPC1 21/4885 |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | ALDH1A1 2244/4885RAB9A 1266/4885NPC1 21/4885 |
| US-20150265612-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | ALDH1A1 2397/4885RAB9A 1232/4885NPC1 21/4885 |
“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.