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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.78 |
| ▸ | CA2 | P00918 | 13/20 | 0.78 |
| ▸ | CA4 | P22748 | 8/20 | 0.78 |
| ▸ | CA9 | Q16790 | 8/20 | 0.78 |
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA3 | P07451 | 3/20 | 0.65 |
| ▸ | CA6 | P23280 | 3/20 | 0.65 |
| ▸ | CA5A | P35218 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 3/20 | 0.65 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.65 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | CA11 | O75493 | 1/20 | 0.65 |
| ▸ | THRB | P10828 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL9403512 | 0.98 | CA1 (0.80) | CA1CA2CA4CA9CA12 | |
| SCHEMBL19383010 | 0.98 | CA1 (0.80) | CA1CA2CA4CA9CA12 | |
| SCHEMBL11049891 | 0.88 | CA1 (1.00) | CA1CA2CA4CA9CA12 | |
| SCHEMBL19382585 | 0.86 | CA1 (0.74) | CA1CA2CA4CA9CA12 | |
| SCHEMBL19382598 | 0.83 | CA1 (0.70) | CA1CA2CA4CA9CA12 | |
| SCHEMBL19382592 | 0.82 | CA1 (0.68) | CA1CA2CA4CA9CA12 | |
| Acetazolamide SCHEMBL2557036 | 0.79 | CA1 (1.00) | CA1CA2CA4CA9CA12 | |
| Acetazolamide SCHEMBL23219 | 0.79 | CA1 (1.00) | CA1CA2CA4CA9CA12 | |
| SCHEMBL22118514 | 0.79 | CA1 (0.73) | CA1CA2CA4CA9CA12 | |
| SCHEMBL13454384 | 0.78 | CA2 (1.00) | CA1CA2CA4CA9CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5288735-A | Water soluble carbonic anhydrase inhibitor | TRAGER SEYMOUR F (US) | 1994-02-22 | — | — | US | disclosed |
| US-4975446-A | WATER SOLUBLE CARBONIC ANHYDRASE INHIBITOR; 1,3,4-THIADIAZOLE DERIVATIVES | TRAGER SEYMOUR F (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0396201-A1 | Thiadiazoline-sulphonamides useful for the treatment of glaucoma | Trager, Seymour F. (US) | 1990-11-07 | — | — | EP | disclosed |