Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 4/20 | 0.33 |
| ▸ | CDK8 | P49336 | 4/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL12745352 | 0.87 | CHRM2 (0.34) | KCNH2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL12827232 | 0.84 | KCNH2 (0.35) | KCNH2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21341332 | 0.64 | HSD11B1 (0.36) | KCNH2CYP11B2OPRK1CYP11B1CNR2 | |
| SCHEMBL15099967 | 0.64 | CFTR (0.35) | — | |
| SCHEMBL8248884 | 0.63 | TP53 (0.43) | CHRM2CHRM4CHRM1CHRM3OPRK1 | |
| SCHEMBL14845711 | 0.62 | MAPT (0.36) | CNR2 | |
| SCHEMBL24944391 | 0.62 | ALDH1A1 (0.37) | KCNH2CYP11B2CYP1A2 | |
| SCHEMBL21341468 | 0.61 | KCNH2 (0.32) | KCNH2 | |
| SCHEMBL19953969 | 0.61 | TGFBR1 (0.40) | CNR1CNR2 | |
| SCHEMBL4648535 | 0.61 | CHRM1 (1.00) | KCNH2CHRM2CHRM4CHRM5CHRM1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170189389-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-06 | — | — | US | disclosed |
| US-20160271105-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2016-09-22 | — | — | US | disclosed |
| US-20150174098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150094304-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMA (US) | 2015-04-02 | — | — | US | disclosed |
| US-8952050-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |
| US-8952049-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-8623905-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-07 | — | — | US | disclosed |
| US-8575209-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130178471-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vextex Pharmaceuticals Incorporated (US) | 2013-07-11 | — | — | US | disclosed |
| US-8415387-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-09 | — | — | 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 (6 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-20150174098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
| US-20150094304-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
| US-20170189389-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
| US-20130178471-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
| US-20160271105-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KCNH2 1194/4885CHRM2 3272/4885CHRM4 2687/4885 |
“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.