Calcium

Calcium

SCHEMBL2864550

[Ca].c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.94
IDO1 P14902 1/20 0.57
AGXT P21549 1/20 0.55
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TACR1 P25103 2/20 0.48
CALM1 P0DP23 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27380 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL5311581 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL9795394 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9725547 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL15535487 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL1009266 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Potassium SCHEMBL586337 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL10317949 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9491202 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Methane SCHEMBL11192510 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118001260-A Dissolving monosodium urate for treating gout 贺亮 2024-05-10 CN disclosed
CN-111491625-B Dissolving monosodium urate for treating gout 贺亮 2023-12-01 CN disclosed
US-20210077420-A1 Methods of Treatment of Gout HOOPER MARK (GB) 2021-03-18 US disclosed
EP-3723741-A1 DISSOLUTION OF MONOSODIUM URATE TO TREAT GOUT Hooper, Mark (GB) 2020-10-21 EP disclosed
CN-111491625-A Monosodium urate for treating gout 马克·霍伯 2020-08-04 CN disclosed
WO-2019116045-A1 DISSOLUTION OF MONOSODIUM URATE TO TREAT GOUT HOOPER MARK (GB) 2019-06-20 WO disclosed
US-7842843-B2 Mixture containing 1,3-butadiene and process for producing the same KURARAY CO., LTD. (JP) 2010-11-30 US disclosed
US-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 US disclosed
EP-1795578-A2 Mixture containing 1, 3-Butadiene and process for producing the same Kuraray Co., Ltd. (JP) 2007-06-13 EP disclosed
US-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD (JP) 2007-05-31 US disclosed
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME TELO2, MSMO1, HBG1 TSHR 4283/4885IDO1 4046/4885AGXT 3485/4885
US-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT TSHR 657/4885IDO1 3395/4885AGXT 3889/4885
US-20210077420-A1 Methods of Treatment of Gout XDH, SLC10A1, LIPA TSHR 3963/4885IDO1 4149/4885AGXT 240/4885

“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.