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 | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6797408 | 0.99 | PIM1 (0.43) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| Water SCHEMBL9602231 | 0.97 | PIM1 (0.43) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL9602450 | 0.97 | PIM1 (0.43) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL9688940 | 0.93 | PIM1 (0.48) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| SCHEMBL7662481 | 0.87 | RIPK1 (0.46) | PIM1ROCK2ROCK1CLK4RIPK1 | |
| Bromide SCHEMBL9602934 | 0.79 | RPS6KB1 (0.33) | CYP1A2USP2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL9044459 | 0.75 | PTPN11 (0.48) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| SCHEMBL9686365 | 0.74 | RIPK1 (0.43) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| SCHEMBL9535416 | 0.74 | PIM1 (0.48) | PIM1CYP1A2USP2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL9689129 | 0.73 | PIM1 (0.47) | PIM1CYP1A2USP2ALDH1A1HSD17B10 |
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 |