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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3265737 | 0.98 | HTR3A (0.39) | HTR3AMTNR1AMTNR1BSYKALDH1A1 | |
| SCHEMBL24128098 | 0.82 | CYP1A2 (0.38) | HTR3AMTNR1AMTNR1BSYKALDH1A1 | |
| SCHEMBL30397292 | 0.80 | KDM4E (0.46) | HTR3AMTNR1AMTNR1BSYKALDH1A1 | |
| SCHEMBL25205112 | 0.80 | KDM4E (0.46) | HTR3AMTNR1AMTNR1BSYKALDH1A1 | |
| SCHEMBL12411165 | 0.77 | MAPK8 (0.49) | HTR3AMEN1KMT2AGRM4CYP1A2 | |
| SCHEMBL24881398 | 0.77 | MEN1 (0.38) | ALDH1A1MEN1NPC1LMNAMAPT | |
| SCHEMBL28860465 | 0.77 | MKNK1 (0.42) | HTR3AMTNR1AMTNR1BSYKMAPT | |
| SCHEMBL24129492 | 0.77 | MAPK8 (0.36) | HTR3AMTNR1AMTNR1BSYKALDH1A1 | |
| SCHEMBL10055017 | 0.76 | CLK4 (0.52) | MAPK14DYRK1AMAPK13RAF1MAPK9 | |
| SCHEMBL28051845 | 0.76 | MTNR1A (0.38) | HTR3AMTNR1AMTNR1BSYKALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111556871-B | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | H.隆德贝克有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-111465410-B | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-111526890-B | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-109311872-B | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | H.隆德贝克有限公司 | 2021-08-20 | — | — | CN | disclosed |
| CN-111556871-A | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | H.隆德贝克有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-111526890-A | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111465410-A | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2020-07-28 | — | — | CN | disclosed |