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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778173 | 0.97 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL7775102 | 0.97 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL272103 | 0.97 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Water SCHEMBL5430832 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Hydrochloric Acid SCHEMBL1241011 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL17821887 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Iodide SCHEMBL28089655 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL7778181 | 0.94 | ALDH1A1 (0.40) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL17046069 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL17821983 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HSD17B10EPHX1PDK1PDK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104709917-B | A kind of method by solid-phase grinding synthesis SSZ-13 molecular sieve | 浙江大学 | 2016-09-14 | — | — | CN | claimed |
| CN-116034090-A | CHA type zeolite and preparation method thereof | 东曹株式会社 | 2023-04-28 | — | — | CN | disclosed |
| CN-112661170-B | Synthetic method of low template agent SSZ-13 molecular sieve | 中化学科学技术研究有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-113174002-A | Ultrahigh molecular weight polyethylene catalyst, and preparation method and application thereof | 上海化工研究院有限公司 | 2021-07-27 | — | — | CN | disclosed |
| CN-112661170-A | Synthesis method of low template agent SSZ-13 molecular sieve | 中化学科学技术研究有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-104709917-B | A kind of method by solid-phase grinding synthesis SSZ-13 molecular sieve | 浙江大学 | 2016-09-14 | — | — | CN | disclosed |