Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573622 | 0.83 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6233100 | 0.83 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29325669 | 0.82 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28103505 | 0.80 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL28200141 | 0.78 | TDP1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18390809 | 0.78 | NFE2L2 (0.57) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL28495996 | 0.78 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8944225 | 0.77 | LTA4H (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10057657 | 0.77 | ESR2 (0.56) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14163846 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110487918-A | The analysis method of genotoxicity impurity in Pantoprazole Sodium and its starting material | INST MATERIA MEDICA CAMS | 2019-11-22 | — | — | CN | claimed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-103819349-A | Preparation method of 4-(difluoromethoxy)aniline | SHENYANG MANWEI CHEMICAL CO LTD | 2014-05-28 | — | — | CN | claimed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | claimed |
| CN-1013671-B | PREPARATION METHOD FOR PYRAZOLINES | SCHERING AG (DE) | 1991-08-28 | — | — | CN | claimed |
| EP-3204386-B1 | SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2021-03-03 | — | — | EP | disclosed |
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |
| CN-104817508-B | A kind of trinitrogenazole alcohol analog derivative and its preparation method and application | 中国人民解放军第二军医大学 | 2017-12-05 | — | — | CN | disclosed |
| CN-103193684-B | A kind of preparation method of semicarbazones | 杭州宇龙化工有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-102746296-B | Oxazolidinone antibiotics | ACTELION PHARMACEUTICALS LTD. (CH) | 2015-10-28 | — | — | CN | disclosed |
| CN-104918919-A | Substituted reverse pyrimidine bmi-1 inhibitors | PTC THERAPEUTICS INC | 2015-09-16 | — | — | CN | disclosed |
| CN-101679415-A | oxazolidinone antibiotics | ACTELION PHARMACEUTICALS LTD | 2010-03-24 | — | — | CN | disclosed |
| CN-101434596-A | Novel azaheterocyclic amides useful for treating pain | ABBOTT LAB (US) | 2009-05-20 | — | — | CN | disclosed |
| CN-101035784-A | New bicyclic antibiotics | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-12 | — | — | CN | disclosed |
| CN-1849315-A | Novel nitrogen-containing heterocyclic amides for the treatment of pain | ABBOTT LAB (US) | 2006-10-18 | — | — | CN | disclosed |
| US-20060046987-A1 | Substituted quinazoline derivatives and their use as inhibitors | ASTRAZENECA AB (SE) | 2006-03-02 | — | — | US | disclosed |
| CN-1489580-A | Imidazole derivatives | - | 2004-04-14 | — | — | CN | disclosed |
| CN-1303374-A | Substituted indolinones, process for their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-07-11 | — | — | CN | disclosed |
| CN-88100536-A | 2-imino--1,3-dithio-cyclobutane compounds and preparation method thereof and as the application of sterilant | — | 1988-09-14 | — | — | CN | 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-20060046987-A1 | Substituted quinazoline derivatives and their use as inhibitors | AURKA, AURKB, AURKC | CA1 2997/4885CA2 1519/4885CA7 2036/4885 |
“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.