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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7105990 | 0.98 | CYP2A6 (0.58) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL19649589 | 0.81 | CYP2A6 (0.54) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL31221626 | 0.80 | CYP19A1 (0.42) | CYP2A6LOXL2TSHRCYP19A1CA12 | |
| SCHEMBL28150035 | 0.76 | LOXL2 (0.52) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4599948 | 0.75 | KIF11 (0.41) | CYP2A6LOXL2TSHRKCNH2 | |
| SCHEMBL8756206 | 0.75 | CYP2A6 (0.47) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL27949151 | 0.72 | CA2 (0.65) | CYP2A6LOXL2ALDH1A1TSHRCA12 | |
| SCHEMBL91062 | 0.72 | CYP2A6 (1.00) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL1004267 | 0.71 | LOXL2 (0.64) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL1344068 | 0.71 | LOXL2 (0.65) | CYP2A6LOXL2ALDH1A1TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0922708-B1 | Production method of borate compounds | SHOWA DENKO KK (JP) | 2003-05-14 | — | — | EP | disclosed |
| US-6140537-A | REACTING AN ORGANIC OXYBORON COMPOUND WITH LITHIUM, MAGNESIUM, OR COMPOUND THEREOF; FORMING BORON ANION COMPOUND; ION EXCHANGING | SHOWA DENKO K.K. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0974595-A1 | PROCESS FOR PRODUCING BORON COMPOUNDS | Showa Denko Kabushiki Kaisha (JP) | 2000-01-26 | — | — | EP | disclosed |
| US-6002044-A | REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY | SHOWA DENKO K.K. (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0922708-A2 | Production method of borate compounds | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1999-06-16 | — | — | EP | disclosed |
| EP-0555058-B1 | (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition | TOYO INK MFG CO (JP) | 1997-05-07 | — | — | EP | disclosed |
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |
| EP-0555058-A1 | (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition | TOYO INK MANUFACTURING CO., LTD. (JP) | 1993-08-11 | — | — | EP | disclosed |