Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15173999 | 0.85 | KDM4E (0.74) | KDM4ECYP1A2ALDH1A1HSD17B10LMNA | |
| SCHEMBL13398828 | 0.85 | KDM4E (0.74) | KDM4ECYP1A2ALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL7010162 | 0.85 | KDM4E (0.74) | KDM4ECYP1A2ALDH1A1HSD17B10LMNA | |
| SCHEMBL14564493 | 0.84 | KDM4E (0.72) | KDM4ECYP1A2ALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL20376571 | 0.84 | KDM4E (0.72) | KDM4ECYP1A2ALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL980985 | 0.84 | KDM4E (0.72) | KDM4ECYP1A2ALDH1A1CYP2C9HSD17B10 | |
| Hydrochloric Acid SCHEMBL10432931 | 0.84 | KDM4E (0.72) | KDM4ECYP1A2ALDH1A1HSD17B10LMNA | |
| SCHEMBL20783705 | 0.83 | KDM4E (0.70) | KDM4ECYP1A2ALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL13398517 | 0.83 | KDM4E (0.71) | KDM4ECYP1A2ALDH1A1CYP2C9CYP3A4 | |
| SCHEMBL13398637 | 0.83 | KDM4E (0.71) | KDM4ECYP1A2LMNACYP3A4THPO |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9303023-B2 | Pyrazole and imidazole derivatives useful as orexin antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-04-05 | — | — | US | claimed |
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |
| EP-2675801-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-12-25 | — | — | EP | claimed |
| US-20130324579-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-12-05 | — | — | US | claimed |
| WO-2012110986-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-08-23 | — | — | WO | claimed |
| US-6946462-B2 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. (US) | 2005-09-20 | — | — | US | claimed |
| US-20040192744-A1 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | HAAG RAINER (DE) | 2004-09-30 | — | — | US | claimed |
| US-20030139404-A1 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. | 2003-07-24 | — | — | US | claimed |
| CN-107849035-B | Phenyl heterocyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-12-10 | — | — | CN | disclosed |
| EP-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |
| CN-107849035-A | Phenyl heterocyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2018-03-27 | — | — | CN | disclosed |
| WO-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |
| WO-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |
| US-9493446-B2 | Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-11-15 | — | — | US | disclosed |
| US-6869953-B2 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | HOFFMAN-LA ROCHE INC. (US) | 2005-03-22 | — | — | US | disclosed |
| CN-1176645-A | Compounds with growth hormone releasing properties | NOVO NORDISK AS (DK) | 1998-03-18 | — | — | CN | disclosed |
| US-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |
| EP-0352581-A2 | Ethylene diaminmonoamide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-01-31 | — | — | EP | disclosed |
| US-3935193-A | ANTIBIOTICS | TOYO JOZO KABUSHIKI KAISHA (JA) | 1976-01-27 | — | — | 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 (3 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-20040192744-A1 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | NAT1, CYP1A1, UGT1A1 | KDM4E 2857/4885CYP1A2 14/4885ALDH1A1 198/4885 |
| US-20030139404-A1 | N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents | NAT1, CYP1A1, UGT1A1 | KDM4E 2857/4885CYP1A2 14/4885ALDH1A1 198/4885 |
| US-20130324579-A1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | HCRTR2, HCRTR1, NPY1R | KDM4E 2153/4885CYP1A2 442/4885ALDH1A1 2000/4885 |
“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.