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 | 0.40 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | RRM1 | P23921 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231755 | 0.87 | EPHX1 (0.41) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| Iodide SCHEMBL10983801 | 0.83 | EPHX1 (0.38) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10981684 | 0.82 | EPHX1 (0.42) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10981680 | 0.82 | EPHX1 (0.42) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10982094 | 0.77 | EPHX1 (0.42) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| Bromide SCHEMBL11243522 | 0.76 | MEN1 (0.41) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL11767214 | 0.75 | GRIN2D (0.44) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| Bromide SCHEMBL11240808 | 0.74 | RRM1 (0.41) | RRM1EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL6928681 | 0.74 | SIGMAR1 (0.47) | MEN1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6928679 | 0.74 | SIGMAR1 (0.47) | MEN1KMT2AGRIN2DGRIN3BGRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4310539-A | BACTERICIDES, FUNGICIDES | STAUFFER CHEMICAL COMPANY (US) | 1982-01-12 | — | — | US | disclosed |
| US-4233318-A | BACTERICIDAL AND FUNGICIDAL S-AMINOALKYL ISOTHIOUREA | STAUFFER CHEMICAL COMPANY (US) | 1980-11-11 | — | — | US | disclosed |