Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 6/20 | 0.42 |
| ▸ | TOP2A | P11388 | 15/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 10/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.39 |
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 SCHEMBL9873492 | 1.00 | TOP1 (0.42) | TOP1TOP2ATOP2BCYP3A4CYP2C9 | |
| Bromide SCHEMBL9873498 | 1.00 | TOP1 (0.42) | TOP1TOP2ATOP2BCYP3A4CYP2C9 | |
| SCHEMBL10918713 | 0.82 | TOP1 (0.53) | TOP1TOP2ATOP2BKDM4EKMT2A | |
| Bromide SCHEMBL9875030 | 0.79 | KDM4E (0.61) | TOP1TOP2ATOP2BKDM4EKMT2A | |
| Bromide SCHEMBL9872550 | 0.78 | KDM4E (0.66) | TOP2ATOP2BKDM4EKMT2AAADAT | |
| SCHEMBL9872260 | 0.78 | KDM4E (0.62) | TOP1TOP2ATOP2BKDM4EKMT2A | |
| SCHEMBL10919879 | 0.77 | TOP2A (0.66) | TOP1TOP2ATOP2B | |
| SCHEMBL10918381 | 0.74 | KDM4E (0.67) | TOP1TOP2ATOP2BKDM4EKMT2A | |
| SCHEMBL10917492 | 0.74 | TOP2A (0.53) | TOP1TOP2ATOP2BKDM4E | |
| SCHEMBL8465319 | 0.73 | TOP2A (0.54) | TOP1TOP2ATOP2BKDM4EAADAT |
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-4990508-A | Reduced side effects | TOYAMA CHEMICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |