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 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SI | P14410 | 2/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL9384064 | 0.99 | KMT2A (0.44) | KMT2AMEN1MAPTHTTPOLB | |
| SCHEMBL8329544 | 0.85 | KMT2A (0.45) | KMT2AMEN1MAPTHTTPOLB | |
| SCHEMBL8329320 | 0.84 | KMT2A (0.44) | KMT2AMEN1MAPTHTTPOLB | |
| Hydrochloric Acid SCHEMBL8329003 | 0.84 | KMT2A (0.44) | KMT2AMEN1MAPTHTTPOLB | |
| Hydrochloric Acid SCHEMBL8327510 | 0.82 | POLB (0.46) | KMT2AMEN1MAPTHTTPOLB | |
| SCHEMBL8328383 | 0.81 | FLT4 (0.43) | KMT2AMEN1MAPTPOLBMGAM | |
| SCHEMBL8328087 | 0.80 | GSK3B (0.47) | KMT2AMEN1MAPTMGAMAMY1A | |
| Hydrochloric Acid SCHEMBL8328344 | 0.78 | KMT2A (0.39) | KMT2AMEN1MAPTHTTPOLB | |
| SCHEMBL8326905 | 0.78 | POLB (0.50) | KMT2AMEN1MAPTHTTPOLB | |
| SCHEMBL8327249 | 0.77 | GSK3B (0.42) | KMT2AMEN1MAPTHTTMGAM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0509974-B1 | Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof | ASTRA AB (SE) | 1999-01-13 | — | — | EP | disclosed |
| US-5439917-A | Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor | AKTIEBOLAGET ASTRA (SE) | 1995-08-08 | — | — | US | disclosed |
| CN-1067892-A | The preparation method of new pyrrolo-[2,3-b] pyridine derivate | ASTRA AB (SE) | 1993-01-13 | — | — | CN | disclosed |
| EP-0509974-A1 | Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof | Astra Aktiebolag (SE) | 1992-10-21 | — | — | EP | disclosed |