Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL29953706 | 1.00 | LMNA (0.56) | LMNASMN1; SMN2GAAL3MBTL1CA12 | |
| SCHEMBL29958209 | 0.81 | ALDH1A1 (0.47) | GAAALDH1A1KDM4E | |
| SCHEMBL16600609 | 0.81 | ALDH1A1 (0.47) | GAAALDH1A1KDM4E | |
| SCHEMBL29956502 | 0.81 | ALDH1A1 (0.54) | LMNASMN1; SMN2CA1CA2CA9 | |
| SCHEMBL16195782 | 0.81 | ALDH1A1 (0.54) | LMNASMN1; SMN2CA1CA2CA9 | |
| SCHEMBL2634586 | 0.79 | ENPP2 (0.53) | LMNASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL16195567 | 0.79 | ALDH1A1 (0.61) | LMNASMN1; SMN2GAAALDH1A1MEN1 | |
| SCHEMBL29952763 | 0.79 | CA12 (0.51) | LMNAGAACA12CA1CA2 | |
| SCHEMBL29956105 | 0.79 | ALDH1A1 (0.61) | LMNASMN1; SMN2GAAALDH1A1MEN1 | |
| SCHEMBL10154281 | 0.79 | LMNA (0.71) | LMNASMN1; SMN2GAAL3MBTL1CA12 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834521-B2 | Choline kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |
| EP-3012250-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-11-08 | — | — | EP | disclosed |
| US-9522145-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-20 | — | — | US | disclosed |
| US-20160237044-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-08-18 | — | — | US | disclosed |
| EP-3049406-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES AND USE THEREOF TO TREAT THROMBOTIC/THROMBOEMBOLIC DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2016-08-03 | — | — | EP | disclosed |
| EP-3012250-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2016-04-27 | — | — | EP | disclosed |
| US-20160024024-A1 | Novel Choline Kinase Inhibitors | ARIAD PHARMACEUTICALS, INC. | 2016-01-28 | — | — | US | disclosed |
| EP-2968358-A1 | NOVEL CHOLINE KINASE INHIBITORS | ARIAD Pharmaceuticals, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2578571-B1 | Isoquinoline modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2015-09-16 | — | — | EP | disclosed |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-07-09 | — | — | US | disclosed |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-24 | — | — | US | disclosed |
| EP-2738172-A1 | New bicyclic compounds as crac channel modulators | Almirall, S.A. (ES) | 2014-06-04 | — | — | EP | disclosed |
| US-8722704-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-13 | — | — | US | disclosed |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-07 | — | — | US | disclosed |
| EP-2217572-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2013-11-06 | — | — | EP | disclosed |
| US-8507524-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-13 | — | — | US | disclosed |
| EP-2578571-A1 | Isoquinoline modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2013-04-10 | — | — | EP | disclosed |
| EP-2217572-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-06-04 | — | — | US | disclosed |
| WO-2009064959-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | 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-20160024024-A1 | Novel Choline Kinase Inhibitors | CHKA, CHKB, CEPT1 | LMNA 3535/4885SMN1; SMN2 2555/4885GAA 1368/4885 |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | LMNA 3795/4885SMN1; SMN2 4812/4885GAA 419/4885 |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | LMNA 3826/4885SMN1; SMN2 4808/4885GAA 387/4885 |
| US-20160237044-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | PAH, AADAT, TTR | LMNA 2032/4885SMN1; SMN2 2147/4885GAA 1280/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | LMNA 3826/4885SMN1; SMN2 4808/4885GAA 387/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | LMNA 3535/4885SMN1; SMN2 4779/4885GAA 347/4885 |
“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.