Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24312767 | 0.93 | NPC1 (0.53) | NPC1TLR8TLR7ESR2GPR84 | |
| SCHEMBL27504681 | 0.85 | NPC1 (0.60) | NPC1TLR8TLR7GPR84TRPA1 | |
| SCHEMBL14823134 | 0.81 | CYP11B1 (0.53) | NPC1TLR8TLR7 | |
| SCHEMBL14823127 | 0.80 | PTGS2 (0.43) | NPC1TLR8TLR7GPR84AHR | |
| SCHEMBL9001654 | 0.78 | NPC1 (0.49) | NPC1TLR8TLR7GPR84TRPA1 | |
| SCHEMBL8957490 | 0.78 | NPC1 (0.49) | NPC1TLR8TLR7GPR84TRPA1 | |
| SCHEMBL827047 | 0.76 | GPR84 (0.54) | NPC1GPR84TRPA1CA1CA2 | |
| SCHEMBL16547578 | 0.76 | CBFB (0.48) | NPC1TLR8TLR7GHSRMETAP2 | |
| SCHEMBL13285076 | 0.76 | ALDH1A1 (0.48) | TLR8TLR7GHSRCTNNB1WNT3A | |
| SCHEMBL15811951 | 0.75 | GPR84 (0.60) | NPC1TLR8TLR7GPR84TRPA1 |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3705477-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3216787-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-2502911-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20160318931-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-03 | — | — | US | disclosed |
| EP-2382197-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2016-10-05 | — | — | EP | disclosed |
| US-9399648-B2 | Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-07-26 | — | — | US | disclosed |
| EP-2187884-B1 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMA (US) | 2016-03-30 | — | — | EP | disclosed |
| US-20150315186-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-11-05 | — | — | US | disclosed |
| US-20150293078-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED | 2015-10-15 | — | — | US | disclosed |
| US-9090619-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-07-28 | — | — | US | disclosed |
| US-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-27 | — | — | US | disclosed |
| US-8410132-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20130035327-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2013-02-07 | — | — | US | disclosed |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| US-8324242-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-8101767-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorported (US) | 2011-04-28 | — | — | US | disclosed |
| US-20090298876-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-03 | — | — | US | disclosed |
| US-20090246820-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-01 | — | — | US | disclosed |
| US-20090227797-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-10 | — | — | 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 (8 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-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20090227797-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | CFTR, SLC26A4, ABCB11 | NPC1 56/4885TLR8 3678/4885TLR7 3268/4885 |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20090298876-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20150315186-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20130035327-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
| US-20160318931-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NPC1 28/4885TLR8 3660/4885TLR7 4661/4885 |
“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.