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 | 0.53 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4400258 | 0.98 | GRIN2D (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Iodide SCHEMBL4399930 | 0.96 | GRIN2D (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18077999 | 0.81 | — | — | |
| SCHEMBL627214 | 0.80 | GRIN2D (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL14932687 | 0.80 | GRIN2D (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1273856 | 0.77 | GRIN2D (0.81) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL22622050 | 0.77 | GRIN2D (0.62) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13488633 | 0.75 | EPHX1 (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10487392 | 0.75 | GRIN2D (0.78) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6015497 | 0.75 | GRIN2D (0.78) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007119109-A2 | PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MEDICHEM, S.A. (US) | 2007-10-25 | — | — | WO | disclosed |