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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL11926118 | 0.79 | KDM4E (0.42) | MAPTCA1CA2KMT2AKDM4E | |
| Bromide SCHEMBL5196843 | 0.78 | CA1 (0.48) | TDP1MAPTCA1CA2ALDH1A1 | |
| SCHEMBL12289085 | 0.76 | TDP1 (0.42) | TDP1MAPTCA1CA2CA12 | |
| SCHEMBL14593147 | 0.76 | CA1 (0.49) | TDP1MAPTCA1CA2LOXL2 | |
| SCHEMBL9915908 | 0.73 | TDP1 (0.53) | TDP1MAPTCA1CA2CA12 | |
| SCHEMBL2385010 | 0.71 | TDP1 (0.52) | TDP1MAPTCA1CA2CA12 | |
| SCHEMBL12205239 | 0.70 | ALDH1A1 (0.64) | MAPTALDH1A1RECQLKMT2AMEN1 | |
| SCHEMBL14621733 | 0.69 | KDM4E (0.42) | TDP1MAPTALDH1A1KMT2AKDM4E | |
| SCHEMBL27557574 | 0.69 | CA1 (0.76) | TDP1MAPTCA1CA2CA12 | |
| Bromide SCHEMBL1687203 | 0.68 | KDM4E (0.44) | TDP1MAPTALDH1A1RECQLKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6228868-B1 | ANTICARCINOGENIC AND ANTITUMOR AGENTS | ABBOTT LABORATORIES | 2001-05-08 | — | — | US | disclosed |