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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31258366 | 0.74 | SIGMAR1 (0.37) | SIGMAR1EPHX1TP53KDM4EGMNN | |
| SCHEMBL20841523 | 0.72 | MEN1 (0.43) | SIGMAR1EPHX1TP53LMNASMN1; SMN2 | |
| SCHEMBL4189609 | 0.72 | SIGMAR1 (0.36) | SIGMAR1EPHX1TP53KDM4EGMNN | |
| SCHEMBL1900863 | 0.72 | SIGMAR1 (0.36) | SIGMAR1EPHX1TP53KDM4EGMNN | |
| SCHEMBL6062121 | 0.72 | TP53 (0.37) | SIGMAR1EPHX1TP53KDM4EGMNN | |
| SCHEMBL9555928 | 0.72 | MEN1 (0.43) | SIGMAR1EPHX1TP53LMNASMN1; SMN2 | |
| SCHEMBL29927046 | 0.71 | SIGMAR1 (0.33) | SIGMAR1EPHX1 | |
| SCHEMBL6061406 | 0.70 | SIGMAR1 (0.31) | SIGMAR1EPHX1 | |
| SCHEMBL17337998 | 0.70 | SIGMAR1 (0.34) | SIGMAR1EPHX1TP53KDM4EGMNN | |
| Hydrochloric Acid SCHEMBL7752335 | 0.70 | SIGMAR1 (0.34) | SIGMAR1EPHX1TP53KDM4EGMNN |
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-4487698-A | REMOVING QUATERNARY AMMONIUM AND PHOSPHONIM SALTS WITH PHENOLIC COMPOUNDS; PHASE TRANSFER | BAYER AKTIENGESELLSCHAFT (DE) | 1984-12-11 | — | — | US | disclosed |
| US-4316980-A | USING A QUATERNARY AMMONIUM SALT CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 1982-02-23 | — | — | US | disclosed |