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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.44 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8022997 | 0.98 | PRSS1 (0.56) | PRSS1PRSS2PRSS3ESR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7140866 | 0.97 | PRSS1 (0.55) | PRSS1PRSS2PRSS3ESR1ALDH1A1 | |
| SCHEMBL5161147 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL20564639 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL3165609 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL25297232 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL3680357 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL21879662 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL1531270 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL43568 | 0.85 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0331229-B1 | QUATERNARY AMMONIUM COMPOUNDS FOR USE IN BLEACHING SYSTEMS | UNILEVER N.V. (NL) | 1993-08-18 | — | — | EP | disclosed |
| US-4904406-A | PEROXYCARBOXYLIC ACID PRECURSORS, PEROXIDE-GENERATING BLEACH AND SURFACTANT DETERGENT MIXTURE | LEVER BROTHERS COMPANY (US) | 1990-02-27 | — | — | US | disclosed |
| EP-0331229-A2 | Quaternary ammonium compounds for use in bleaching systems | UNILEVER N.V. (NL) | 1989-09-06 | — | — | EP | disclosed |