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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10699803 | 0.98 | AR (0.43) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL4252040 | 0.80 | AR (0.49) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL29462975 | 0.80 | AR (0.49) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL8679853 | 0.78 | ADRA2B (0.53) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL22868422 | 0.78 | POLB (0.50) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL19685425 | 0.78 | GABRA1 (0.45) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL8283681 | 0.78 | MEN1 (0.43) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL7673743 | 0.77 | IDO1 (0.50) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL6637583 | 0.77 | AOC1 (0.55) | ARMEN1KMT2APOLBG6PD | |
| SCHEMBL27894034 | 0.77 | AR (0.43) | ARMEN1KMT2APOLBG6PD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0213474-B1 | SUBSTITUTED TOLUIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS GASTRIC SECRETION INHIBITORS | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-02-03 | — | — | EP | disclosed |
| US-4871734-A | ANTISECRETORY AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-10-03 | — | — | US | disclosed |
| EP-0213474-A2 | Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-03-11 | — | — | EP | disclosed |