Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31347506 | 0.85 | GAA (0.50) | TAAR1CA2CA1KIF11L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8508446 | 0.85 | TAAR1 (0.42) | KDM4EATMTAAR1CNR1CNR2 | |
| SCHEMBL27800149 | 0.84 | TSHR (0.53) | TAAR1MAOB | |
| SCHEMBL8508741 | 0.84 | KIF11 (0.54) | KDM4EATMTAAR1KIF11 | |
| SCHEMBL11280334 | 0.84 | CYP3A4 (0.44) | KDM4EATMTAAR1 | |
| SCHEMBL3275792 | 0.82 | CNR1 (0.47) | CASP1HSD17B10CA2CNR1CNR2 | |
| SCHEMBL13385187 | 0.82 | CNR1 (0.47) | ATMCASP1HSD17B10CA2CNR1 | |
| Hydrochloric Acid SCHEMBL11286300 | 0.82 | CYP3A4 (0.43) | KDM4EATMTAAR1 | |
| SCHEMBL7394762 | 0.82 | PDE4B (0.58) | — | |
| SCHEMBL3656868 | 0.81 | KDM4E (0.44) | KDM4EATMCASP1HSD17B10CA2 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130012536-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-8232302-B2 | Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-31 | — | — | US | disclosed |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-02-09 | — | — | US | disclosed |
| US-20110144123-A1 | Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| US-7846951-B2 | Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-07 | — | — | US | disclosed |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-20 | — | — | US | disclosed |
| EP-2140865-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2010-01-06 | — | — | EP | disclosed |
| US-7598412-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-06 | — | — | US | disclosed |
| EP-1682127-B1 | THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20090018140-A1 | THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-01-15 | — | — | US | disclosed |
| WO-2005049018-A1 | THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-06-02 | — | — | WO | disclosed |
| WO-2005035514-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-04-21 | — | — | WO | disclosed |
| EP-1186601-B1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-6573279-B1 | Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the | ASTELLAS PHARMA INC. (JP) | 2003-06-03 | — | — | US | disclosed |
| EP-1186601-A1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |
| US-5028256-A | Metolachlor and an acylamide compound, for maize or sorghum | CIBA-GEIGY CORPORATION (US) | 1991-07-02 | — | — | US | disclosed |
| US-4897109-A | ACYLAMINE DERIVATIVE | CIBA-GEIGY CORPORATION (US) | 1990-01-30 | — | — | US | disclosed |
| EP-0163607-B1 | MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES | CIBA-GEIGY AG (CH) | 1989-11-08 | — | — | EP | disclosed |
| US-4581172-A | Substituted pyrimido[6,1-a]isoquinolin-4-ones,pyrimido[6,1-a]benzozepin-4-ones and pyrimido[6,1-a]benzodiazepin-4-ones useful for prevention of thromboses and treating hypertension | HOFFMANN-LA ROCHE INC. (US) | 1986-04-08 | — | — | US | disclosed |
| EP-0163607-A2 | Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides | CIBA-GEIGY AG (CH) | 1985-12-04 | — | — | EP | 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-20130012536-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | ABCB11, ABCB1, ABCC5 | KDM4E 4529/4885ATM 4769/4885TAAR1 2217/4885 |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | ABCB11, ABCB1, ABCC5 | KDM4E 4529/4885ATM 4769/4885TAAR1 2217/4885 |
| US-20090018140-A1 | THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | KDM4E 4616/4885ATM 2449/4885TAAR1 3306/4885 |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | ABCB11, ABCB1, ABCC5 | KDM4E 4529/4885ATM 4769/4885TAAR1 2217/4885 |
| US-20110144123-A1 | Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | KDM4E 4616/4885ATM 2449/4885TAAR1 3306/4885 |
“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.