Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.42 |
| ▸ | CA1 | P00915 | 8/20 | 0.42 |
| ▸ | CA5A | P35218 | 8/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 8/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA3 | P07451 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA6 | P23280 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.35 |
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 SCHEMBL4555224 | 1.00 | CA2 (0.42) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL4554833 | 0.93 | CA2 (0.39) | CA2CA1CA5ACA5BCA9 | |
| Bromide SCHEMBL3738018 | 0.84 | CA2 (0.61) | CA2CA1CA5ACA5BCA9 | |
| Bromide SCHEMBL3738017 | 0.84 | CA2 (0.61) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL13012320 | 0.83 | CA2 (0.62) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL4554835 | 0.82 | CA2 (0.38) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL3737816 | 0.79 | CA2 (0.56) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL3737820 | 0.79 | CA2 (0.56) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL14615288 | 0.76 | CA2 (0.63) | CA2CA1CA5ACA5BCA9 | |
| SCHEMBL13012323 | 0.72 | CA2 (0.47) | CA2CA1CA5ACA5BCA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2129666-A2 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | Siemens Medical Solutions USA, Inc. (US) | 2009-12-09 | — | — | EP | claimed |
| WO-2008124703-A2 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2008-10-16 | — | — | WO | claimed |
| EP-2129666-A2 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | Siemens Medical Solutions USA, Inc. (US) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008124703-A2 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2008-10-16 | — | — | WO | disclosed |