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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 8/20 | 0.33 |
| ▸ | AKT1 | P31749 | 5/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 9/20 | 0.32 |
| ▸ | SSTR1 | P30872 | 7/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
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 SCHEMBL9602726 | 0.79 | PIM1 (0.43) | RPS6KB1CYP1A2MEN1CYP3A4CYP2D6 | |
| SCHEMBL6797408 | 0.78 | PIM1 (0.43) | CYP1A2MEN1CYP3A4CYP2D6KMT2A | |
| Water SCHEMBL9602231 | 0.77 | PIM1 (0.43) | CYP1A2MEN1CYP3A4CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL9602450 | 0.77 | PIM1 (0.43) | RPS6KB1CYP1A2MEN1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9688940 | 0.73 | PIM1 (0.48) | CYP1A2MEN1CYP3A4CYP2D6KMT2A | |
| SCHEMBL6796908 | 0.72 | IRAK4 (0.34) | — | |
| SCHEMBL6796013 | 0.72 | IRAK4 (0.34) | — | |
| SCHEMBL7662481 | 0.72 | RIPK1 (0.46) | AURKB | |
| SCHEMBL9654498 | 0.67 | EGFR (0.40) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16145856 | 0.64 | LATS1 (0.36) | ALDH1A1 |
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-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |