Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | BAX | Q07812 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 SCHEMBL28447097 | 0.95 | LTA4H (0.63) | LTA4HTSHRNR1H2BAXMAOA | |
| Iodide SCHEMBL28589936 | 0.95 | LTA4H (0.63) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL11576945 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL435149 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL22129853 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL122719 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL9212518 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL3893562 | 0.83 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL11469638 | 0.80 | LTA4H (0.86) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL9061108 | 0.80 | LTA4H (1.00) | LTA4HTSHRNR1H2BAXMAOA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104693114-A | Improved method for preparing betrixaban | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-06-10 | — | — | CN | claimed |
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | claimed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | claimed |
| CN-104693114-B | A kind of improved preparation method of betrixaban | 四川海思科制药有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-106608877-B | One kind replacing Buddhist nun's intermediate 4- amino -3- according to Shandong（4- phenoxy groups）The preparation method of phenyl -1H- pyrazolos [3,4-d] pyrimidine | 新发药业有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-106608877-A | Preparation method of Ibrutinib intermediate 4-amino-3-(4-phenoxy) phenyl-1H-pyrazol [3,4-d] pyrimidine | 新发药业有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-104693114-A | Improved method for preparing betrixaban | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-06-10 | — | — | CN | disclosed |
| CN-101652383-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2013-09-18 | — | — | CN | disclosed |
| CN-101652383-A | Hepatitis c virus inhibitors | SQUIBB BRISTOL MYERS CO US | 2010-02-17 | — | — | CN | disclosed |
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-101391972-A | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-03-25 | — | — | CN | disclosed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | disclosed |
| CN-1157376-C | Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same | ��һ��������ҩ��ʽ���� | 2004-07-14 | — | — | CN | disclosed |
| CN-1246110-A | Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same | SUNTORY LTD (JP) | 2000-03-01 | — | — | CN | disclosed |
| CN-1095071-A | The acyl group that 17 α and 17 β replace-3-carboxyl fragrance A ring steroide 5-alpha-reductase inhibitors | SMITHKLINE BEECHAM CORP (US) | 1994-11-16 | — | — | CN | disclosed |