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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.61 |
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA6 | P23280 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.61 |
| ▸ | CA7 | P43166 | 4/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 3/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1812684 | 0.98 | CA12 (0.64) | CA12CA1CA2CA6CA9 | |
| SCHEMBL312791 | 0.80 | CA12 (0.64) | CA12CA1CA2CA6CA9 | |
| SCHEMBL30436340 | 0.80 | CA12 (0.64) | CA12CA1CA2CA6CA9 | |
| SCHEMBL29810232 | 0.79 | TTR (0.56) | CA12CA1CA2CA6CA9 | |
| SCHEMBL588825 | 0.79 | TTR (0.56) | CA12CA1CA2CA6CA9 | |
| SCHEMBL8252798 | 0.78 | LCK (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL10034774 | 0.78 | PKM (0.50) | CA2MAPTPOLBCA5AALDH1A1 | |
| Protocatechuic Acid SCHEMBL39435 | 0.77 | CA12 (1.00) | CA12CA1CA2CA6CA9 | |
| SCHEMBL2771199 | 0.77 | CA12 (0.73) | CA12CA1CA2CA6CA9 | |
| Protocatechuic Acid SCHEMBL30030432 | 0.77 | CA12 (1.00) | CA12CA1CA2CA6CA9 |
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-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |