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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9494876 | 0.79 | ADORA3 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL31427619 | 0.77 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL28328752 | 0.76 | L3MBTL1 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL31427616 | 0.73 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL10510673 | 0.73 | ADORA3 (0.44) | ALDH1A1HSD17B10HIF1AL3MBTL1ERBB2 | |
| SCHEMBL16008026 | 0.71 | CA1 (0.38) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL638693 | 0.71 | TLR7 (0.38) | HSD17B10 | |
| SCHEMBL637127 | 0.71 | ALDH1A1 (0.32) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL3298436 | 0.71 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| Bromide SCHEMBL1122418 | 0.69 | PLAU (0.48) | ALDH1A1HSD17B10L3MBTL1PTPN1CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966215-A1 | CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS | Novartis AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071738-A1 | CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS | NOVARTIS AG (CH) | 2007-06-28 | — | — | WO | disclosed |