Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 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 | |
|---|---|---|---|---|
| SCHEMBL8250569 | 0.82 | LRRK2 (0.59) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2671981 | 0.80 | CYP2C9 (0.51) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL1725165 | 0.80 | CYP2E1 (0.51) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12427197 | 0.80 | CYP2E1 (0.51) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL28862446 | 0.80 | LRRK2 (0.58) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30133185 | 0.79 | HSD17B1 (0.56) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL21873401 | 0.79 | CYP2E1 (0.47) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL311156 | 0.79 | CYP2E1 (0.65) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL18806853 | 0.78 | CYP2C9 (0.57) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12427189 | 0.78 | CYP2E1 (0.50) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210238192-A1 | VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPEUTICS, INC. | 2021-08-05 | — | — | US | disclosed |
| CN-105315319-B | Hepatitis C virus inhibitor and application thereof | 南京圣和药业股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| US-7977334-B2 | N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-12 | — | — | US | disclosed |
| US-20090221589-A1 | Use of aminoalcohol derivatives for the treatment of overactive bladder | TRIESELMANN THOMAS | 2009-09-03 | — | — | US | disclosed |
| US-20080234278-A1 | Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions | TRIESELMANN THOMAS | 2008-09-25 | — | — | US | disclosed |
| CN-101056628-A | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2007-10-17 | — | — | CN | disclosed |
| US-4533550-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1985-08-06 | — | — | US | disclosed |
| EP-0006712-B1 | HETEROCYCLIC DERIVATIVES OF (4-ARYLOXYMETHYL-1.3-DIOXOLAN-2-YL) METHYL-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND THE DERIVATIVES FOR USE AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-11-30 | — | — | EP | disclosed |
| US-4313953-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-02-02 | — | — | US | disclosed |
| US-4218458-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-08-19 | — | — | US | disclosed |
| EP-0006712-A1 | Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-09 | — | — | 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 (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-20210238192-A1 | VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF | VCAM1, VAPB, ICAM1 | CYP2E1 4814/4885CYP2A6 4855/4885CYP2C9 4868/4885 |
| US-20080234278-A1 | Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions | ADRB1, ADRB3, ADRB2 | CYP2E1 423/4885CYP2A6 347/4885CYP2C9 116/4885 |
| US-20090221589-A1 | Use of aminoalcohol derivatives for the treatment of overactive bladder | ADRB2, ADRB1, ADRB3 | CYP2E1 587/4885CYP2A6 745/4885CYP2C9 419/4885 |
“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.