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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29903148 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL8824112 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL69629 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL29405063 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Benzene SCHEMBL28694599 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Naphthalene SCHEMBL8135433 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Fluoride SCHEMBL27511882 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL9635910 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Fluoride SCHEMBL27704987 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1248531 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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-111620899-B | Synthetic method of benzo-boron-nitrogen-naphthalene thiophene derivative | 九江学院 | 2022-12-20 | — | — | CN | disclosed |
| CN-112480376-B | N-type polymer semiconductor material, preparation method and application | 苏州大学 | 2022-03-08 | — | — | CN | disclosed |
| CN-112480376-A | N-type polymer semiconductor material, preparation method and application | 苏州大学 | 2021-03-12 | — | — | CN | disclosed |
| CN-103864571-A | Preparation method of 1-bromonaphthalene | CHANGZHOU ZHENGFENG PHOTOELECTRIC NEW MATERIAL CO LTD | 2014-06-18 | — | — | CN | disclosed |
| CN-100413831-C | Preparation method of dibromine naphthalene | UNIV EAST CHINA NORMAL (CN) | 2008-08-27 | — | — | CN | disclosed |
| CN-1923776-A | Preparation method of dibromine naphthalene | UNIV EAST CHINA NORMAL (CN) | 2007-03-07 | — | — | CN | disclosed |