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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 8/20 | 0.32 |
| ▸ | SLC6A4 known ✓ | P31645 | 8/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | QDPR | P09417 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9150713 | 1.00 | PARP1 (0.36) | PARP1HSP90AA1QDPRALOX12ERCC1 | |
| Bromide SCHEMBL9150707 | 1.00 | PARP1 (0.36) | PARP1HSP90AA1QDPRALOX12ERCC1 | |
| SCHEMBL7431434 | 0.99 | PARP1 (0.36) | PARP1HSP90AA1QDPRALOX12ERCC1 | |
| SCHEMBL7431416 | 0.99 | PARP1 (0.36) | PARP1HSP90AA1QDPRALOX12ERCC1 | |
| SCHEMBL7431423 | 0.99 | PARP1 (0.36) | PARP1HSP90AA1QDPRALOX12ERCC1 | |
| SCHEMBL7298153 | 0.84 | GRK2 (0.37) | PARP1QDPRKDM4EALDH1A1LMNA | |
| SCHEMBL7294770 | 0.84 | GRK2 (0.37) | PARP1QDPRKDM4EALDH1A1LMNA | |
| SCHEMBL7298143 | 0.84 | GRK2 (0.37) | PARP1QDPRKDM4EALDH1A1LMNA | |
| SCHEMBL7294900 | 0.81 | QDPR (0.39) | PARP1QDPRKDM4EALDH1A1LMNA | |
| SCHEMBL7436148 | 0.81 | QDPR (0.39) | PARP1QDPRKDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5444083-A | DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE | EISAI CO., LTD. (JP) | 1995-08-22 | — | — | US | disclosed |