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 | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 SCHEMBL3846592 | 0.74 | CXCR3 (0.44) | CXCR3RAB9AGSK3BALDH1A1MEN1 | |
| Bromide SCHEMBL10549310 | 0.74 | CXCR3 (0.38) | CXCR3RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL17187853 | 0.65 | GSK3B (0.64) | RAB9AGSK3BCA1CA2ALDH1A1 | |
| SCHEMBL196299 | 0.65 | GSK3B (0.64) | RAB9AGSK3BCA1CA2ALDH1A1 | |
| SCHEMBL7214228 | 0.65 | GSK3B (0.64) | RAB9AGSK3BCA1CA2ALDH1A1 | |
| Bromide SCHEMBL10550683 | 0.64 | PKM (0.44) | CXCR3RAB9AGSK3BCA12CA1 | |
| SCHEMBL27214768 | 0.64 | RAB9A (0.51) | CXCR3RAB9AGSK3BALDH1A1MEN1 | |
| SCHEMBL12220178 | 0.63 | GSK3B (0.52) | CXCR3RAB9AGSK3BALDH1A1MEN1 | |
| Bromide SCHEMBL17180523 | 0.63 | ALDH1A1 (0.61) | CXCR3RAB9AGSK3BALDH1A1MEN1 | |
| SCHEMBL15340905 | 0.62 | KMT2A (0.64) | RAB9AGSK3BALDH1A1MEN1KMT2A |
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-4831151-A | NEMATOCIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-05-16 | — | — | US | disclosed |