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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL584440 | 1.00 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL25396186 | 1.00 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL34607 | 0.97 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Water SCHEMBL29258026 | 0.94 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Water SCHEMBL28212473 | 0.94 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Iodide SCHEMBL5143897 | 0.94 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL819060 | 0.94 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4228173 | 0.94 | — | — | |
| Bromide SCHEMBL6882180 | 0.92 | ALDH1A1 (0.30) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Silver SCHEMBL28022140 | 0.92 | ALDH1A1 (0.30) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9957166-B2 | Molecular sieves and related methods and structure directing agents | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-05-01 | — | — | US | disclosed |
| US-20160272503-A1 | MOLECULAR SIEVES AND RELATED METHODS AND STRUCTURE DIRECTING AGENTS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-09-22 | — | — | US | disclosed |
| US-9289757-B2 | Molecular sieves and related methods and structure directing agents | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-22 | — | — | US | disclosed |
| US-8562942-B2 | Molecular sieves and related methods and structure directing agents | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2013-10-22 | — | — | US | disclosed |
| EP-2417061-A2 | MOLECULAR SIEVES AND RELATED METHODS AND STRUCTURE DIRECTING AGENTS | California Institute of Technology (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010118377-A2 | MOLECULAR SIEVES AND RELATED METHODS AND STRUCTURE DIRECTING AGENTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20100260665-A1 | MOLECULAR SIEVES AND RELATED METHODS AND STRUCTURE DIRECTING AGENTS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2010-10-14 | — | — | US | disclosed |