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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | CASR | P41180 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328742 | 0.74 | MGAM (0.44) | ALDH1A1KDM4EGAASMN1; SMN2MEN1 | |
| SCHEMBL8326350 | 0.73 | IDO1 (0.39) | ALDH1A1KDM4ELMNATSHRSMN1; SMN2 | |
| SCHEMBL8329544 | 0.72 | KMT2A (0.45) | ALDH1A1KDM4ELMNAGAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8329003 | 0.71 | KMT2A (0.44) | ALDH1A1KDM4ELMNAGAASMN1; SMN2 | |
| SCHEMBL8327607 | 0.70 | CA12 (0.47) | ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A | |
| SCHEMBL8329803 | 0.68 | PKM (0.45) | ALDH1A1KDM4ELMNAGAATSHR | |
| SCHEMBL8328067 | 0.68 | RXFP1 (0.45) | ALDH1A1KDM4ELMNACYP3A4TSHR | |
| SCHEMBL8324651 | 0.68 | FOLH1 (0.41) | ALDH1A1KDM4ELMNAHPGDCASR | |
| SCHEMBL8328087 | 0.67 | GSK3B (0.47) | ALDH1A1LMNAGAACYP3A4CYP2C19 | |
| SCHEMBL8468988 | 0.65 | NPC1 (0.51) | ALDH1A1KDM4ELMNAGAATSHR |
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 5 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 |
| EP-0580616-A1 | NEW ACTIVE COMPOUNDS | Astra Aktiebolag (SE) | 1994-02-02 | — | — | EP | 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 |
| WO-1992017477-A1 | NEW ACTIVE COMPOUNDS | AKTIEBOLAGET ASTRA (SE) | 1992-10-15 | — | — | WO | disclosed |