Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL20369039 | 0.94 | CYP1A2 (0.48) | CYP1A2MAPK1ALDH1A1TSHRZDHHC20 | |
| SCHEMBL19497014 | 0.89 | TSHR (0.42) | CYP1A2MAPK1ALDH1A1TSHRZDHHC20 | |
| SCHEMBL15865784 | 0.88 | — | — | |
| SCHEMBL20961752 | 0.87 | LCK (0.45) | CYP1A2MAPK1ALDH1A1ZDHHC20ZDHHC2 | |
| SCHEMBL6784952 | 0.87 | CYP1A2 (0.43) | CYP1A2MAPK1ALDH1A1ZDHHC20ZDHHC2 | |
| SCHEMBL240366 | 0.86 | TSHR (0.43) | CYP1A2MAPK1ALDH1A1TSHRZDHHC20 | |
| SCHEMBL24693239 | 0.84 | — | — | |
| SCHEMBL12059480 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1ALDH1A1TSHR | |
| SCHEMBL4170086 | 0.82 | ZDHHC20 (0.49) | CYP1A2MAPK1TSHRZDHHC20ZDHHC2 | |
| SCHEMBL5081835 | 0.82 | ZDHHC20 (0.49) | CYP1A2MAPK1TSHRZDHHC20ZDHHC2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090023942-A1 | Method for Producing Bi-Functional Ammonium Nitriles | CLARIANT PRODUKTE (DEUTSCHALND) GMBH (DE) | 2009-01-22 | — | — | US | claimed |
| EP-1856034-A1 | METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES | Clariant Produkte (Deutschland) GmbH (DE) | 2007-11-21 | — | — | EP | claimed |
| WO-2006092247-A1 | METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2006-09-08 | — | — | WO | claimed |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-27 | — | — | US | disclosed |
| US-8772301-B2 | Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20120015925-A1 | NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-01-19 | — | — | US | disclosed |
| US-7973030-B2 | Benzothiazepine and benzothiepine compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2011-07-05 | — | — | US | disclosed |
| US-7803792-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090023942-A1 | Method for Producing Bi-Functional Ammonium Nitriles | CLARIANT PRODUKTE (DEUTSCHALND) GMBH (DE) | 2009-01-22 | — | — | US | disclosed |
| US-7312208-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-12-25 | — | — | US | disclosed |
| EP-1856034-A1 | METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES | Clariant Produkte (Deutschland) GmbH (DE) | 2007-11-21 | — | — | EP | disclosed |
| US-20070203115-A1 | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-08-30 | — | — | US | disclosed |
| US-20070190041-A1 | Novel benzothiazepine and bensothiepine compounds | ASHAI KASEI PHARAMA CORPORATION (JP) | 2007-08-16 | — | — | US | disclosed |
| WO-2006092247-A1 | METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2006-09-08 | — | — | 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 (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-20070203115-A1 | Novel quaternary ammonium compounds | SLC10A2, SLC10A1, ABCB11 | CYP1A2 1339/4885MAPK1 2622/4885ALDH1A1 2165/4885 |
| US-20090023942-A1 | Method for Producing Bi-Functional Ammonium Nitriles | DBF4, AADAC, NAAA | CYP1A2 194/4885MAPK1 2786/4885ALDH1A1 1328/4885 |
| US-20120015925-A1 | NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS | SLC10A1, SREBF1, SPTLC1 | CYP1A2 565/4885MAPK1 2040/4885ALDH1A1 1261/4885 |
| US-20070190041-A1 | Novel benzothiazepine and bensothiepine compounds | SLC10A1, GOT1, CES1 | CYP1A2 851/4885MAPK1 2341/4885ALDH1A1 680/4885 |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | GRM5, GRM2, GRM1 | CYP1A2 4540/4885MAPK1 1459/4885ALDH1A1 1721/4885 |
“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.