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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 11/20 | 0.61 |
| ▸ | MEN1 | O00255 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ALPG | P10696 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11002073 | 0.81 | KMT2A (0.39) | KMT2AMEN1ALDH1A1KDM4ERAB9A | |
| Bromide SCHEMBL1645919 | 0.81 | KMT2A (0.73) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| Bromide SCHEMBL11248275 | 0.81 | KMT2A (0.59) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| SCHEMBL13394254 | 0.79 | KMT2A (0.70) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| SCHEMBL7047435 | 0.79 | KMT2A (0.57) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| SCHEMBL29669559 | 0.79 | KMT2A (0.57) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| SCHEMBL28555637 | 0.79 | KMT2A (0.57) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| Ammonia Solution, Strong SCHEMBL28760024 | 0.77 | KMT2A (0.55) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL11491189 | 0.77 | KMT2A (0.55) | KMT2AMEN1ALDH1A1POLBKDM4E | |
| Bromide SCHEMBL698678 | 0.77 | KDM4E (0.79) | KMT2AMEN1ALDH1A1KDM4ERAB9A |
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-1098647-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA | LONG ISLAND JEWISH RES INST (US) | 2005-03-23 | — | — | EP | disclosed |
| EP-1098647-A4 | COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA | LONG ISLAND JEWISH RES INST (US) | 2003-06-18 | — | — | EP | disclosed |
| US-6391899-B1 | STROKE THERAPY; CARDIOVASCULAR DISORDERS | North Shore—Long Island Jewish Research Institute | 2002-05-21 | — | — | US | disclosed |
| EP-1098647-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000003711-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) | 2000-01-27 | — | — | WO | disclosed |