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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.35 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7811677 | 1.00 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL6981384 | 0.99 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL7811043 | 0.99 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL6981562 | 0.99 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL7811763 | 0.98 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL6985847 | 0.98 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL6984757 | 0.98 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL7809132 | 0.92 | DRD2 (0.38) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Fumaric Acid SCHEMBL7802740 | 0.91 | SLC18A3 (0.37) | DRD2SLC18A3HTR7SIGMAR1MEN1 | |
| Fumaric Acid SCHEMBL7802738 | 0.91 | SLC18A3 (0.37) | DRD2SLC18A3HTR7SIGMAR1MEN1 |
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-0601547-B1 | Crystalline salts of optically active aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-09-12 | — | — | EP | disclosed |
| EP-0601547-A1 | Crystalline salts of optically active aminocoumaran derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-06-15 | — | — | EP | disclosed |