Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.45 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA9 | Q16790 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6503305 | 0.98 | CA2 (0.43) | CA2CA1CA9CA12CA5A | |
| SCHEMBL3923472 | 0.78 | NR3C2 (0.41) | CA2CA1CA9CA12CA5A | |
| SCHEMBL1527692 | 0.78 | TSHR (0.42) | CA2CA1CA9CA12CA5A | |
| SCHEMBL132005 | 0.77 | PKM (0.50) | CA2CA1CA9CA12CA5A | |
| SCHEMBL2542150 | 0.77 | CA2 (0.46) | CA2CA1CA9CA12CA5A | |
| SCHEMBL6432835 | 0.76 | APOBEC3G (0.52) | CA2CA1CA9CA12CA5A | |
| SCHEMBL22563806 | 0.76 | HSP90AA1 (0.42) | CA2CA1CA9CA12CA5A | |
| SCHEMBL22257152 | 0.76 | APOBEC3G (0.52) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL3848237 | 0.76 | NR3C2 (0.40) | CA2CA1CA9CA12CA5A | |
| Sulfuric Acid SCHEMBL27953345 | 0.76 | TSHR (0.41) | CA2CA1CA9CA12CA5A |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109900830-A | Using the method and application of sulfonamides impurity in HPLC separation determination celecoxib | 天地恒一制药股份有限公司 | 2019-06-18 | — | — | CN | claimed |
| CN-1190960-A | Method of preparing 3-haloalkyl-1H-pyrazoles | SEARLE & CO (US) | 1998-08-19 | — | — | CN | claimed |
| EP-0828717-A1 | METHOD OF PREPARING 3-HALOALKYL-1H-PYRAZOLES | G.D. SEARLE & CO. (US) | 1998-03-18 | — | — | EP | claimed |
| WO-1996037476-A1 | METHOD OF PREPARING 3-HALOALKYL-1H-PYRAZOLES | G.D. SEARLE & CO. (US) | 1996-11-28 | — | — | WO | claimed |
| CN-109900830-A | Using the method and application of sulfonamides impurity in HPLC separation determination celecoxib | 天地恒一制药股份有限公司 | 2019-06-18 | — | — | CN | disclosed |
| WO-2017175238-A1 | HIGHLY CHEMOSELECTIVE REACTIONS IN PRESENCE OF AROMATIC AMINO GROUPS | NEON LABORATORIES LIMITED (IN) | 2017-10-12 | — | — | WO | disclosed |
| EP-2302000-B1 | CURABLE COMPOSITION AND CATALYST COMPOSITION | KANEKA CORP (JP) | 2016-11-16 | — | — | EP | disclosed |
| CN-104875257-A | Wood preservative and preparation method thereof | SUZHOU XIANGYUAN SPEICAL FINE CHEMICAL CO LTD | 2015-09-02 | — | — | CN | disclosed |
| US-9051501-B2 | Curable composition and catalyst composition | KANEKA CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |
| EP-2100923-B1 | CURABLE COMPOSITION | KANEKA CORP (JP) | 2013-03-13 | — | — | EP | disclosed |
| CN-101636397-B | Urea compounds, preparation methods and pharmaceutical uses thereof | INST PHARM & TOXICOLOGY AMMS | 2012-06-13 | — | — | CN | disclosed |
| EP-2088173-B1 | CURABLE COMPOSITION AND CATALYST COMPOSITION | KANEKA CORP (JP) | 2012-02-22 | — | — | EP | disclosed |
| CN-1043766-C | Indole derivative and preparation and pharmaceutical using of same | TORAY INDUSTRIES (JP) | 1999-06-23 | — | — | CN | disclosed |
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |
| EP-0828717-A1 | METHOD OF PREPARING 3-HALOALKYL-1H-PYRAZOLES | G.D. SEARLE & CO. (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037476-A1 | METHOD OF PREPARING 3-HALOALKYL-1H-PYRAZOLES | G.D. SEARLE & CO. (US) | 1996-11-28 | — | — | WO | disclosed |
| EP-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |
| CN-1092425-A | Indole derivatives, its manufacture method and medicinal use thereof | TORAY INDUSTRIES (JP) | 1994-09-21 | — | — | CN | disclosed |