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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3884195 | 0.80 | KMT2A (0.70) | KMT2ATHRBALDH1A1POLBSMN1; SMN2 | |
| Bromide SCHEMBL3883473 | 0.80 | THRB (0.58) | KMT2ATHRBCES2CES1ALDH1A1 | |
| SCHEMBL4896174 | 0.79 | KMT2A (0.68) | KMT2ATHRBALDH1A1NPC1POLB | |
| Bromide SCHEMBL4071796 | 0.79 | CES2 (0.49) | KMT2ACES2CES1ALDH1A1MAPT | |
| SCHEMBL4894700 | 0.78 | THRB (0.56) | KMT2ATHRBCES2CES1ALDH1A1 | |
| Bromide SCHEMBL15065558 | 0.78 | ALDH1A1 (0.54) | KMT2ATHRBALDH1A1NPC1RAB9A | |
| SCHEMBL4075799 | 0.77 | CES2 (0.50) | KMT2ACES2CES1ALDH1A1MAPT | |
| Bromide SCHEMBL3890738 | 0.77 | KMT2A (0.57) | KMT2ATHRBALDH1A1NPC1POLB | |
| SCHEMBL15086467 | 0.76 | ALDH1A1 (0.52) | KMT2ATHRBALDH1A1NPC1RAB9A | |
| Bromide SCHEMBL3897209 | 0.75 | KMT2A (0.63) | KMT2ATHRBALDH1A1HTTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888063-B1 | ANTIFUNGAL AGENTS | F2G LTD (GB) | 2009-01-14 | — | — | EP | 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 |