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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25074787 | 0.99 | CA12 (0.48) | CA12CA1CA2CA9HTT | |
| SCHEMBL29864571 | 0.99 | CA12 (0.48) | CA12CA1CA2CA9HTT | |
| SCHEMBL29864187 | 0.92 | CA12 (0.47) | CA12CA1CA2CA9HTT | |
| SCHEMBL25074717 | 0.92 | CA12 (0.47) | CA12CA1CA2CA9HTT | |
| SCHEMBL25247696 | 0.87 | CA12 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25074714 | 0.86 | MAPT (0.40) | CA12CA1CA2CA9HTT | |
| SCHEMBL29864391 | 0.86 | MAPT (0.40) | CA12CA1CA2CA9HTT | |
| SCHEMBL29864764 | 0.84 | HTT (0.36) | CA12CA1CA2CA9HTT | |
| SCHEMBL25074837 | 0.84 | HTT (0.36) | CA12CA1CA2CA9HTT | |
| SCHEMBL25210832 | 0.84 | HTT (0.35) | CA12CA1CA2CA9HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114901646-A | Benzotriazine double oxide and pharmaceutical composition thereof | 杭州瑞臻医药有限公司 | 2022-08-12 | — | — | CN | disclosed |