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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 19/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573053 | 0.99 | CA2 (0.50) | CA2CA1CA12CA3AR | |
| SCHEMBL10514135 | 0.77 | CA2 (0.54) | CA2 | |
| SCHEMBL10539035 | 0.74 | CA2 (0.50) | CA2 | |
| SCHEMBL4573030 | 0.74 | CA2 (0.44) | CA2 | |
| SCHEMBL4573032 | 0.73 | CA2 (0.46) | CA2CA1 | |
| SCHEMBL14155516 | 0.73 | CA2 (0.43) | CA2 | |
| SCHEMBL9429782 | 0.71 | CA2 (0.50) | CA2CA1CA12CA3AR | |
| SCHEMBL9429777 | 0.71 | CA2 (0.50) | CA2CA1CA12CA3AR | |
| SCHEMBL9429779 | 0.71 | CA2 (0.50) | CA2CA1CA12CA3AR | |
| SCHEMBL10561142 | 0.70 | CYP26A1 (0.43) | CA2CA1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008075148-A2 | TRICYCLIC INHIBITORS OF CARBONIC ANHYDRASE | PFIZER PRODUCTS INC. (US) | 2008-06-26 | — | — | WO | disclosed |