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 | |
|---|---|---|---|---|
| ▸ | RRM1 | P23921 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL21132349 | 0.77 | NOS3 (0.50) | EPHX1NOS1NOS3NOS2TSHR | |
| Bromide SCHEMBL11243526 | 0.74 | MEN1 (0.41) | RRM1EPHX1GNAI3GNAO1GNAI1 | |
| Bromide SCHEMBL11808166 | 0.74 | BLM (0.39) | EPHX1TDP1NOS1NOS3NOS2 | |
| Dodine SCHEMBL31233393 | 0.71 | MEN1 (0.53) | EPHX1SMN1; SMN2SPHK1CASP2CYP1A2 | |
| SCHEMBL6543354 | 0.71 | EPHX1 (0.46) | EPHX1SPHK1CASP2TSHR | |
| Octadecylamine SCHEMBL27380726 | 0.71 | DNM1 (0.52) | EPHX1GNAI3GNAO1GNAI1SMN1; SMN2 | |
| SCHEMBL11586615 | 0.70 | ZDHHC20 (0.44) | EPHX1SPHK1CASP2TSHR | |
| Iodide SCHEMBL11646271 | 0.70 | EPHX1 (0.45) | EPHX1SPHK1CASP2TSHR | |
| Iodide SCHEMBL11683759 | 0.70 | EPHX1 (0.39) | EPHX1TDP1NOS1NOS3NOS2 | |
| SCHEMBL6756980 | 0.70 | DNM1 (0.50) | EPHX1GNAI3GNAO1GNAI1DPP7 |
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 |