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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL302808 | 0.97 | CYP1A2 (0.55) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL27574908 | 0.94 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL27075400 | 0.94 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| Hydrochloric Acid SCHEMBL28343965 | 0.94 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| Fluoride SCHEMBL27890454 | 0.94 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| Water SCHEMBL27559247 | 0.94 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| Biphenyl SCHEMBL27366995 | 0.87 | CYP1A2 (0.46) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| Selenic Acid SCHEMBL28804100 | 0.84 | CYP1A2 (0.48) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL941402 | 0.82 | HPRT1 (0.67) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL27403109 | 0.82 | CYP3A4 (0.50) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10703959-B2 | Functionalized silicate nanoparticle composition, removing and exfoliating asphaltenes with same | BAKER HUGHES, A GE COMPANY, LLC (US) | 2020-07-07 | — | — | US | disclosed |
| US-20170247599-A1 | FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME | BAKER HUGHES INCORPORATED | 2017-08-31 | — | — | US | disclosed |
| US-9683163-B2 | Functionalized silicate nanoparticle composition, removing and exfoliating asphaltenes with same | BAKER HUGHES INCORPORATED (US) | 2017-06-20 | — | — | US | disclosed |
| WO-2016149454-A1 | FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME | BAKER HUGHES INCORPORATED (US) | 2016-09-22 | — | — | WO | disclosed |
| US-20150191646-A1 | FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME | BAKER HUGHES INCORPORATED (US) | 2015-07-09 | — | — | US | disclosed |
| US-9012377-B2 | Functionalized silicate nanoparticle composition, removing and exfoliating asphaltenes with same | BAKER HUGHES INCORPORATED (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140187449-A1 | FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME | BAKER HUGHES INCORPORATED (US) | 2014-07-03 | — | — | US | disclosed |
| WO-2014106007-A1 | FUNCTIONALIZED SILICATE NANOPARTICLE COMPOSITION, REMOVING AND EXFOLIATING ASPHALTENES WITH SAME | BAKER HUGHES INCORPORATED (US) | 2014-07-03 | — | — | WO | disclosed |