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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1863035 | 0.98 | CYP1A2 (0.56) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL856060 | 0.98 | CYP1A2 (0.56) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL1855324 | 0.96 | CYP1A2 (0.53) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL7418522 | 0.93 | CYP1A2 (0.50) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL10084759 | 0.93 | CYP1A2 (0.50) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL24001095 | 0.92 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL7418518 | 0.92 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL24001256 | 0.92 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL24757426 | 0.91 | CYP1A2 (0.48) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL27065452 | 0.90 | ALDH1A1 (0.48) | CYP1A2MAPK1SMN1; SMN2HRH3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2430195-A2 | COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE | Biomatrica, INC. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132508-A2 | COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE | BIOMATRICA, INC. (US) | 2010-11-18 | — | — | WO | disclosed |