Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31256052 | 0.86 | ACHE (0.54) | ACHEENPP2CA1CA2CA7 | |
| SCHEMBL20979821 | 0.86 | ACHE (0.54) | ACHEENPP2CA1CA2CA7 | |
| SCHEMBL14163837 | 0.83 | ACHE (0.50) | ACHEENPP2CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL28200068 | 0.82 | ALDH1A1 (0.48) | ACHEENPP2CA1CA2CA7 | |
| SCHEMBL20386564 | 0.81 | CA4 (0.52) | ACHEENPP2CA1CA2CA7 | |
| SCHEMBL1134073 | 0.81 | CA4 (0.52) | ACHEENPP2CA1CA2CA7 | |
| SCHEMBL1134082 | 0.80 | MTNR1A (0.61) | ACHECA1CA2CA7CA9 | |
| SCHEMBL29636366 | 0.80 | ACHE (0.52) | ACHECA1CA2CA7CA9 | |
| SCHEMBL820669 | 0.80 | ACHE (0.52) | ACHECA1CA2CA7CA9 | |
| SCHEMBL30054343 | 0.80 | MTNR1A (0.61) | ACHECA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107098846-A | N- acyl sulfonamides class FBPase inhibitor, its preparation method, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-08-29 | — | — | CN | disclosed |
| CN-105384739-A | Pyrazolo[3,4-c]pyridine derivative | CSPC ZHONGQI PHARMACEUTICAL TECH (SHIJIAZHUANG) CO LTD | 2016-03-09 | — | — | CN | disclosed |
| CN-102126994-B | Benzophenone hydrazone derivative and preparation method and application thereof | SINOCHEM LANTIAN CO LTD | 2014-07-09 | — | — | CN | disclosed |
| CN-103183623-A | A group of benzene sulfonamido benzamide derivatives, and preparation and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-07-03 | — | — | CN | disclosed |
| CN-101528710-B | Aminomethyl-4-imidazoles | HOFFMANN LA ROCHE | 2012-11-07 | — | — | CN | disclosed |
| CN-101367815-B | Six-membered ring methanamide substituted sulfhydryl pyrrolidine carbpenem compound | KBP BIOSCIENCES CO LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-102126994-A | Benzophenone hydrazone derivative and preparation method and application thereof | SINOCHEM LANTIAN CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-101981012-A | Novel tetrahydroisoquinoline derivative | DAIICHI SANKYO CO LTD | 2011-02-23 | — | — | CN | disclosed |
| CN-101528710-A | Aminomethyl-4-imidazoles | HOFFMANN LA ROCHE (CH) | 2009-09-09 | — | — | CN | disclosed |
| CN-101367815-A | Six-membered ring methanamide substituted sulfhydryl pyrrolidine carbpenem compound | SHANDONG XUANZHU MEDICAL SCI T (CN) | 2009-02-18 | — | — | CN | disclosed |
| US-20090036420-A1 | BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | 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 (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-20090036420-A1 | BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS | GABBR1, GABBR2, CHRM2 | ACHE 5/4885ENPP2 1167/4885CA1 1501/4885 |
“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.