Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL276590 | 0.74 | — | — | |
| SCHEMBL3459789 | 0.71 | CYP2A6 (0.41) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL4591164 | 0.70 | CYP1A2 (0.39) | CYP2A6TDO2IKBKBALDH1A1MAPT | |
| SCHEMBL7615765 | 0.67 | CYP2A6 (0.41) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL1439053 | 0.67 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL17350220 | 0.65 | CYP2A6 (0.40) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL8096259 | 0.65 | CYP2A6 (0.40) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL6653596 | 0.64 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL7865465 | 0.63 | TAAR1 (0.41) | CYP3A4ALDH1A1MAPTCYP17A1CYP11B1 | |
| SCHEMBL2315785 | 0.63 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641208-B1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 2000-08-02 | — | — | EP | claimed |
| EP-0641208-A4 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. | MERCK & CO INC (US) | 1995-08-30 | — | — | EP | claimed |
| EP-0641208-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | claimed |
| WO-1993023048-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| EP-0100527-B1 | 4H-1,4-BENZOTHIAZINES FOR USE AS MEDICAMENTS | BAYER AG (DE) | 1987-01-07 | — | — | EP | claimed |
| CN-104395289-B | Amide compound and Pesticidal purposes thereof | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2016-05-11 | — | — | CN | disclosed |
| WO-2012122171-A1 | HERBICIDAL BIS-NITROGEN-CONTAINING OXO HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-09-13 | — | — | WO | disclosed |
| US-7652060-B2 | Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases | Glia Med, Inc (US) | 2010-01-26 | — | — | US | disclosed |
| EP-1636217-B1 | 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | disclosed |
| US-20080076817-A1 | Small Molecule Rotamase Enzyme Inhibitors | HAMILTON GREGORY S | 2008-03-27 | — | — | US | disclosed |
| CN-100372844-C | 2-imidazo-benzothiazoles as adenosine receptor ligands | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |
| CN-1780831-A | 2-Imidazole-Benzothiazoles as Adenosine Receptor Ligands | HOFFMANN LA ROCHE (CH) | 2006-05-31 | — | — | CN | disclosed |
| US-4980367-A | CONTROLLING PLANT DISEASES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-12-25 | — | — | US | disclosed |
| EP-0390850-A4 | ANTIFUNGAL CARBINOLS | — | 1990-12-05 | — | — | EP | disclosed |
| US-4965280-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4965281-A | CONTROLLING PLANT AND MAMMAL FUNGAL INFECTIONS | E. I. DU PONT DE NEMOURS AND CMOPANY (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0390850-A1 | ANTIFUNGAL CARBINOLS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1990-10-10 | — | — | EP | disclosed |
| US-4952232-A | Antifungal carbinols | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-28 | — | — | US | disclosed |
| WO-1989005581-A1 | ANTIFUNGAL CARBINOLS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-06-29 | — | — | WO | disclosed |
| US-4099001-A | [[[Imidazolidinyl amino]carbonyl]amino]acetyl cephalosporin derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-07-04 | — | — | 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 (1 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-20080076817-A1 | Small Molecule Rotamase Enzyme Inhibitors | FKBP8, FKBP1A, FKBP2 | CYP2A6 2628/4885CYP2B6 3249/4885CYP2E1 3974/4885 |
“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.