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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDE8B | O95263 | 1/20 | 0.34 |
| ▸ | WDR91 | A4D1P6 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TPH1 | P17752 | 10/20 | 0.33 |
| ▸ | TPH2 | Q8IWU9 | 10/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3459088 | 0.98 | CYP19A1 (0.49) | CYP19A1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL18658780 | 0.76 | WDR91 (0.38) | CYP19A1WDR91TPH1TPH2TP53 | |
| SCHEMBL16795496 | 0.76 | CYP19A1 (0.36) | CYP19A1WDR91TSHR | |
| SCHEMBL12617259 | 0.75 | CYP19A1 (0.43) | CYP19A1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL17863729 | 0.74 | CYP19A1 (0.45) | CYP19A1KDM4EALDH1A1HPGDPDE8B | |
| SCHEMBL5799043 | 0.74 | PDE8B (0.43) | CYP19A1PDE8BTPH1TPH2TP53 | |
| SCHEMBL21760983 | 0.72 | WDR91 (0.32) | CYP19A1WDR91 | |
| SCHEMBL21760982 | 0.72 | WDR91 (0.32) | CYP19A1WDR91 | |
| SCHEMBL11030523 | 0.71 | TP53 (0.59) | CYP19A1KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL21760986 | 0.71 | PDE8B (0.34) | CYP19A1PDE8BWDR91 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0164635-A2 | Imidazothiazolemethylene-acetohydrazide derivatives, preparation thereof and pharmaceutical composition having diuretic activity | MEDIOLANUM FARMACEUTICI s.r.l. (IT) | 1985-12-18 | — | — | EP | disclosed |