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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.62 |
| ▸ | MEN1 | O00255 | 7/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3606948 | 0.99 | KMT2A (0.61) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| Bromide SCHEMBL11243391 | 0.87 | KMT2A (0.62) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| Bromide SCHEMBL11243390 | 0.87 | KMT2A (0.62) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| SCHEMBL3605905 | 0.81 | KMT2A (0.53) | KMT2AMEN1MAPTABL1RAB9A | |
| Hydrochloric Acid SCHEMBL11253214 | 0.81 | KMT2A (0.52) | KMT2AMEN1MAPTABL1RAB9A | |
| Bromide SCHEMBL11247477 | 0.80 | KMT2A (0.59) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| Bromide SCHEMBL11247478 | 0.80 | KMT2A (0.59) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| SCHEMBL3615155 | 0.78 | ALOX5 (0.51) | KMT2AMEN1MAPTALDH1A1GAA | |
| Bromide SCHEMBL7330009 | 0.77 | MEN1 (0.59) | KMT2AMEN1MAPTALDH1A1GAA | |
| Bromide SCHEMBL7141567 | 0.77 | HDAC3 (0.58) | KMT2AMEN1MAPTALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4315009-A | Antisecretory guanidine derivatives and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-02-09 | — | — | US | disclosed |
| EP-0003640-B1 | ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| EP-0003640-A2 | Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-08-22 | — | — | EP | disclosed |