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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.48 |
| ▸ | CA1 | P00915 | 10/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20074598 | 0.98 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL24665746 | 0.98 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL7109060 | 0.98 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20542290 | 0.98 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL276173 | 0.93 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL28480577 | 0.91 | TP53 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL28486619 | 0.89 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL19028602 | 0.89 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL1487360 | 0.89 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL28210759 | 0.87 | CA2 (0.46) | CA2CA1CA9CA12CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694298-A2 | METHOD FOR SELECTING CATIONIC OR ANIONIC LIPOSOMES FOR TREATMENT OF A MUCOSA MEMBRANE, AND KIT COMPRISING THE SAME | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005041932-A2 | METHOD FOR SELECTING CATIONIC OR ANIONIC LIPOSOMES FOR TREATMENT OF A MUCOSA MEMBRANE, AND KIT COMPRISING THE SAME | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2005-05-12 | — | — | WO | disclosed |