Bicarbonate

Bicarbonate

SCHEMBL3973739

N=C(N)Nc1ccc(F)cc1.O=C(O)O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MITF O75030 1/20 0.50
TGM2 P21980 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 1/20 0.47
TP53 P04637 1/20 0.46
MAPK10 P53779 1/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 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
SCHEMBL4029597 0.92 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ATGM2CA12
Hydrochloric Acid SCHEMBL9957962 0.90 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ATGM2CA12
Methylamine SCHEMBL11079802 0.88 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ATGM2CA12
SCHEMBL27465968 0.85 PTPN1 (0.69) ALDH1A1NPC1RAB9AMITFMEN1
Nitric Acid SCHEMBL4613840 0.83 ALDH1A1 (0.53) ALDH1A1TGM2CA12CA1CA2
Phenylguanidine SCHEMBL300643 0.81 TP53 (0.56) ALDH1A1NPC1RAB9ATGM2MEN1
Phenylguanidine SCHEMBL1950328 0.81 TP53 (0.56) ALDH1A1NPC1RAB9ATGM2MEN1
Bicarbonate SCHEMBL3281891 0.80 NPC1 (0.64) ALDH1A1NPC1RAB9ACA12CA1
SCHEMBL1996992 0.80 F2 (0.50) ALDH1A1NPC1RAB9AGAATP53
Bicarbonate SCHEMBL2945476 0.79 KIF11 (0.62) NPC1RAB9ATGM2CA12CA1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981917-B2 Preparation method for revaprazan hydrochloride JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-05-29 US claimed
US-20170267646-A1 PREPARATION METHOD FOR REVAPRAZAN HYDROCHLORIDE JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2017-09-21 US claimed
CN-106986833-A Auspicious pula life impurity and preparation method thereof 广东华南药业集团有限公司 2017-07-28 CN claimed
EP-0900214-B1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORP (KR) 2001-09-26 EP claimed
US-6252076-B1 REACTING 4-FLUOROGUANIDINE CARBONATE WITH ETHYL 2-METHYLACETOACETATE YUHAN CORPORATION (KR) 2001-06-26 US claimed
EP-0900214-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES Yuhan Corporation (KR) 1999-03-10 EP claimed
WO-1997042186-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORPORATION (KR) 1997-11-13 WO claimed
CN-105669642-B Preparation method of loflupridine hydrochloride 江苏天士力帝益药业有限公司 2020-06-09 CN disclosed
US-9981917-B2 Preparation method for revaprazan hydrochloride JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-05-29 US disclosed
US-20170267646-A1 PREPARATION METHOD FOR REVAPRAZAN HYDROCHLORIDE JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2017-09-21 US disclosed
CN-106986833-A Auspicious pula life impurity and preparation method thereof 广东华南药业集团有限公司 2017-07-28 CN disclosed
CN-105669642-A Revaprzan hydrochloride preparation method 江苏天士力帝益药业有限公司 2016-06-15 CN disclosed
CN-102993173-A Preparation method of revaprzan hydrochloride UNIV SHANDONG 2013-03-27 CN disclosed
US-6252076-B1 REACTING 4-FLUOROGUANIDINE CARBONATE WITH ETHYL 2-METHYLACETOACETATE YUHAN CORPORATION (KR) 2001-06-26 US disclosed
CN-1251586-A Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2000-04-26 CN disclosed
US-5990311-A Process for preparation of pyrimidine derivatives UHAN CORPORATION (KR) 1999-11-23 US disclosed
CN-1217722-A Process for preparing pyrimidine derivatives YUHAN CORP (KR) 1999-05-26 CN disclosed
EP-0900214-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES Yuhan Corporation (KR) 1999-03-10 EP disclosed
WO-1998018784-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORPORATION (KR) 1998-05-07 WO disclosed
WO-1997042186-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORPORATION (KR) 1997-11-13 WO 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170267646-A1 PREPARATION METHOD FOR REVAPRAZAN HYDROCHLORIDE DPYD, QDPR, REV1 ALDH1A1 504/4885NPC1 3824/4885RAB9A 2146/4885

“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.