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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 6/20 | 0.33 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CCL2 | P13500 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29645065 | 0.98 | HTR2A (0.41) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| SCHEMBL5888461 | 0.98 | HTR2A (0.41) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL4855724 | 0.95 | HTR2A (0.40) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| SCHEMBL29633478 | 0.95 | HTR2A (0.40) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Fluoride SCHEMBL7560410 | 0.95 | HTR2A (0.40) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL1929585 | 0.95 | HTR2A (0.40) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Methyl Alcohol SCHEMBL5277893 | 0.91 | HTR2A (0.38) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Dimethylamine SCHEMBL4622746 | 0.89 | KDM4E (0.41) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Alcohol SCHEMBL8155328 | 0.86 | HTR2A (0.38) | HTR2AHTR6SIGMAR1KDM4ECYP2D6 | |
| Phenol SCHEMBL5277434 | 0.86 | CA12 (0.42) | HTR2AHTR6SIGMAR1CYP2D6 |
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-2002020629-A2 | CATALYST SYSTEM FOR POLYMERISING DIENES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |