Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9847949 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL19709408 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL13696428 | 0.85 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL15334771 | 0.84 | TAAR1 (0.44) | ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E | |
| SCHEMBL25991978 | 0.80 | CYP3A4 (0.43) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL25991980 | 0.80 | GAA (0.39) | ALDH1A1CYP3A4CA1CA2CA12 | |
| SCHEMBL1047515 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL13696815 | 0.79 | CYP3A4 (0.42) | ALDH1A1CYP3A4KDM4EHPGDGAA | |
| SCHEMBL14331553 | 0.79 | AR (0.41) | ALDH1A1CYP3A4KDM4EGAAMEN1 | |
| SCHEMBL8430640 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020231917-A1 | ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2020-11-19 | — | — | WO | disclosed |
| WO-2019160813-A1 | ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2019-08-22 | — | — | WO | disclosed |
| US-8835423-B2 | Azepine inhibitors of janus kinases | INCYTE CORPORATION (US) | 2014-09-16 | — | — | US | disclosed |
| US-20140171408-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2014-06-19 | — | — | US | disclosed |
| US-20140031344-A1 | AZEPINE INHIBITORS OF JANUS KINASES | INCYTE CORPORATION (US) | 2014-01-30 | — | — | US | disclosed |
| US-8563541-B2 | Azepine inhibitors of Janus kinases | INCYTE CORPORATION (US) | 2013-10-22 | — | — | US | disclosed |
| EP-2558577-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | Nuevolution A/S (DK) | 2013-02-20 | — | — | EP | disclosed |
| US-20120202788-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| WO-2011127933-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2011-10-20 | — | — | WO | disclosed |
| US-7671201-B2 | Phenyl substituted cyclic derivatives | FMC CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| US-7504411-B2 | 2,3,6-Trisubstituted-4-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-17 | — | — | US | disclosed |
| WO-2008052075-A2 | BENZOXAZINE DERIVATIVES AND USES THEREOF | WYETH (US) | 2008-05-02 | — | — | WO | disclosed |
| US-20080039639-A1 | Chromane and chromene derivatives and uses thereof | WYETH (US) | 2008-02-14 | — | — | US | disclosed |
| US-20070149506-A1 | Azepine inhibitors of Janus kinases | INCYTE CORPORATION | 2007-06-28 | — | — | US | disclosed |
| US-4471140-A | OXIDATION, BASIC OXIDATION CATALYSTS, COBALT SALT AND AMINE COMPOUND | THE DOW CHEMICAL COMPANY (US) | 1984-09-11 | — | — | US | disclosed |
| US-4453016-A | LIQUID PHASE CATALYTIC PREPARATION OF PARA-HYDROXY BENZALDEHYDE | THE DOW CHEMICAL COMPANY (US) | 1984-06-05 | — | — | 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 (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-20080039639-A1 | Chromane and chromene derivatives and uses thereof | HTR1A, CHRM1, HTR2C | ALDH1A1 2329/4885CYP3A4 305/4885CYP1A1 116/4885 |
| US-20140171408-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F12, CHRM1, NPY1R | ALDH1A1 1372/4885CYP3A4 33/4885CYP1A1 73/4885 |
| US-20120202788-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F12, CHRM1, NPY1R | ALDH1A1 1372/4885CYP3A4 33/4885CYP1A1 73/4885 |
| US-20070149506-A1 | Azepine inhibitors of Janus kinases | JAK1, JAK3, JAK2 | ALDH1A1 3705/4885CYP3A4 3714/4885CYP1A1 3103/4885 |
| US-20140031344-A1 | AZEPINE INHIBITORS OF JANUS KINASES | JAK1, JAK3, JAK2 | ALDH1A1 3705/4885CYP3A4 3714/4885CYP1A1 3103/4885 |
“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.