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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.61 |
| ▸ | CA2 | P00918 | 12/20 | 0.61 |
| ▸ | CA9 | Q16790 | 10/20 | 0.61 |
| ▸ | CA5A | P35218 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 5/20 | 0.48 |
| ▸ | CA4 | P22748 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL353392 | 0.98 | CA1 (0.63) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL27271173 | 0.81 | KDM4E (0.50) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL1498169 | 0.81 | KDM4E (0.50) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL353738 | 0.81 | CA1 (0.63) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL10499129 | 0.81 | KDM4E (0.50) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL31191409 | 0.81 | CA1 (0.63) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL23849489 | 0.80 | CA2 (0.49) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL8517045 | 0.79 | KDM4E (0.48) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL8517044 | 0.79 | KDM4E (0.48) | CA1CA2CA9CA5AKDM4E | |
| SCHEMBL364343 | 0.79 | BCAT2 (0.56) | CA1CA2CA9CA5AKDM4E |
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-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |