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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059643 | 0.98 | TSHR (0.35) | TSHRCA12CA2CA9CA1 | |
| SCHEMBL5300087 | 0.84 | EPHX2 (0.41) | TSHRCA12CA9CA1ALDH1A1 | |
| SCHEMBL29843591 | 0.83 | EPHX2 (0.46) | TSHRCA1ALDH1A1EPHX2MAPK1 | |
| SCHEMBL8059768 | 0.80 | CA12 (0.32) | TSHRCA12CA2CA9ALDH1A1 | |
| SCHEMBL3674885 | 0.78 | — | — | |
| SCHEMBL11370142 | 0.77 | CA12 (0.30) | TSHRCA12CA2CA9 | |
| SCHEMBL6207215 | 0.76 | CA12 (0.36) | TSHRCA12CA2CA9CA1 | |
| SCHEMBL6207217 | 0.76 | MEN1 (0.38) | TSHRCA12CA2CA9CA1 | |
| SCHEMBL497808 | 0.76 | CA12 (0.36) | TSHRCA12CA2CA9CA1 | |
| SCHEMBL24370670 | 0.74 | MLYCD (0.36) | TSHRCA12CA2CA9CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711761-A1 | Tetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-05-15 | — | — | EP | disclosed |