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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231665 | 0.98 | KMT2A (0.52) | KMT2ATHRBERCC5FEN1RAB9A | |
| Bromide SCHEMBL3890738 | 0.84 | KMT2A (0.57) | KMT2ATHRBERCC5FEN1RAB9A | |
| Bromide SCHEMBL3890163 | 0.82 | KMT2A (0.49) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| Bromide SCHEMBL3897209 | 0.79 | KMT2A (0.63) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| Bromide SCHEMBL1647594 | 0.78 | KMT2A (0.51) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| Bromide SCHEMBL1645919 | 0.78 | KMT2A (0.73) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| SCHEMBL13394254 | 0.76 | KMT2A (0.70) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| Bromide SCHEMBL3896616 | 0.75 | THRB (0.58) | KMT2ATHRBERCC5FEN1RAB9A | |
| SCHEMBL7996595 | 0.75 | KMT2A (0.48) | KMT2ATHRBRAB9ASMN1; SMN2POLB | |
| Bromide SCHEMBL3884058 | 0.75 | KMT2A (0.74) | KMT2ATHRBRAB9ASMN1; SMN2POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097413-B1 | 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD (GB) | 2013-12-25 | — | — | EP | disclosed |
| EP-2303329-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G Limited (GB) | 2011-04-06 | — | — | EP | disclosed |
| WO-2009144473-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |
| EP-2097413-A1 | 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| EP-1888063-B1 | ANTIFUNGAL AGENTS | F2G LTD (GB) | 2009-01-14 | — | — | EP | disclosed |
| WO-2008062182-A1 | 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD (GB) | 2008-05-29 | — | — | WO | disclosed |
| EP-1888063-A1 | ANTIFUNGAL AGENTS | F2G Ltd. (GB) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006123145-A1 | ANTIFUNGAL AGENTS | F2G LTD (GB) | 2006-11-23 | — | — | WO | disclosed |