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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.34 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5600409 | 0.98 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Bromide SCHEMBL5600682 | 0.98 | CA1 (0.39) | CA1CA2MEN1KMT2AKDM4E | |
| Fluoride Ion SCHEMBL5601302 | 0.98 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5603140 | 0.95 | CA1 (0.39) | CA1CA2MEN1KMT2AKDM4E | |
| Fluoride Ion SCHEMBL5603612 | 0.95 | CA1 (0.39) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5603585 | 0.91 | CA1 (0.36) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5603344 | 0.89 | CA1 (0.35) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5600157 | 0.88 | CA1 (0.33) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5602119 | 0.87 | SMN1; SMN2 (0.34) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5601254 | 0.85 | CA1 (0.33) | CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |