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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.30 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20067101 | 0.98 | EPHX2 (0.38) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL128692 | 0.98 | EPHX2 (0.38) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL19588665 | 0.98 | EPHX2 (0.38) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL20077560 | 0.98 | EPHX2 (0.38) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL27367847 | 0.98 | EPHX2 (0.38) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| Iodide SCHEMBL237045 | 0.96 | EPHX2 (0.37) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL30985685 | 0.96 | EPHX2 (0.37) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| Hydrochloric Acid SCHEMBL30609791 | 0.96 | EPHX2 (0.37) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL31373110 | 0.96 | EPHX2 (0.37) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL31296126 | 0.96 | EPHX2 (0.37) | EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| CN-112135814-B | Process for producing fluorine-containing pyrazole derivative and intermediate therefor | 组合化学工业株式会社 | 2021-09-28 | — | — | CN | disclosed |
| CN-112135814-A | Process for producing fluorine-containing pyrazole derivative and intermediate therefor | 组合化学工业株式会社 | 2020-12-25 | — | — | CN | disclosed |