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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA6 | P23280 | 7/20 | 0.47 |
| ▸ | CA5A | P35218 | 7/20 | 0.47 |
| ▸ | CA7 | P43166 | 7/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 7/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA3 | P07451 | 6/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.47 |
| ▸ | CA4 | P22748 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.43 |
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 SCHEMBL11371647 | 0.87 | CA2 (0.40) | CA2CA1CA12CA6CA5A | |
| SCHEMBL2880820 | 0.82 | CA2 (0.64) | CA2CA1CA12CA6CA5A | |
| SCHEMBL16581252 | 0.81 | CA2 (0.55) | CA2CA1CA12CA6CA5A | |
| Bromide SCHEMBL11374856 | 0.79 | CA2 (0.69) | CA2CA1CA12CA6CA5A | |
| SCHEMBL16581062 | 0.78 | CA2 (0.52) | CA2CA1CA12CA6CA5A | |
| SCHEMBL10281567 | 0.77 | CA2 (0.53) | CA2CA1CA12CA6CA5A | |
| SCHEMBL11804909 | 0.74 | CA2 (0.57) | CA2CA1CA12CA6CA5A | |
| SCHEMBL11386335 | 0.73 | CISD1 (0.48) | CA2CA1CA12CA6CA5A | |
| SCHEMBL11790004 | 0.72 | CA2 (0.52) | CA2CA1CA12CA6CA5A | |
| SCHEMBL11794971 | 0.71 | CA2 (0.51) | CA2CA1CA12CA6CA5A |
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-4247550-A | Compositions and methods for the treatment of hypertension or oedemas | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1981-01-27 | — | — | US | disclosed |