Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL2905788 | 1.00 | CALM1 (0.43) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| SCHEMBL4251511 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1003677 | 0.94 | CALM1 (0.43) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Hydrochloric Acid SCHEMBL28009181 | 0.92 | CALM1 (0.41) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Hydrochloric Acid SCHEMBL28009180 | 0.92 | CALM1 (0.41) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| SCHEMBL150474 | 0.73 | ALDH1A1 (0.50) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL5633596 | 0.72 | TP53 (0.46) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL3909821 | 0.72 | TSHR (0.46) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL27436160 | 0.72 | CALM1 (0.43) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Hydrochloric Acid SCHEMBL29262829 | 0.71 | ALDH1A1 (0.48) | CALM1TSHRALDH1A1IDO1LOXL2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014114964-A2 | IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL AND INTERMEDIATE THEREOF | EGIS PHARMACEUTICALS PUBLIC LIMITED COMPANY (HU) | 2014-07-31 | — | — | WO | disclosed |
| CN-103025717-A | Heterocyclic alkanol derivatives as fungicides | BAYER IP GMBH | 2013-04-03 | — | — | CN | disclosed |
| CN-1279026-C | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2006-10-11 | — | — | CN | disclosed |
| CN-1451009-A | Glucocortiocoid-selective antinflammatory agents | ABBOTT LAB (US) | 2003-10-22 | — | — | CN | disclosed |
| CN-1119348-C | glucocorticoid derivatives, compositions and uses thereof | ABBOTT INC (US) | 2003-08-27 | — | — | CN | disclosed |
| CN-1342149-A | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1296486-A | Glucocorticoid-selective anti-inflammatory agents | ABBOTT LAB (US) | 2001-05-23 | — | — | CN | disclosed |
| US-5162355-A | FUNGICIDAL 1,2,4-TRIAZOLYL-PROPANOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |