Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Bromobenzene. 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 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.50 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28271030 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TDP1HTR2AMAOAMAOB | |
| Bromobenzene SCHEMBL31135532 | 0.82 | TDP1 (0.58) | ALDH1A1TDP1MAOAMAOBAKR1B1 | |
| Bromobenzene SCHEMBL27804757 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TDP1MAOAMAOBAKR1C3 | |
| Bromobenzene SCHEMBL27355486 | 0.81 | ALDH1A1 (0.73) | ALDH1A1TDP1MAOAMAOBAKR1C3 | |
| Bromobenzene SCHEMBL27504550 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TDP1MAOAMAOBFFAR1 | |
| Bromobenzene SCHEMBL28154889 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TDP1MAOAMAOBAKR1B1 | |
| Biphenyl SCHEMBL873029 | 0.79 | LMNA (0.56) | ALDH1A1GLRA1SLC6A9OR51E2FFAR1 | |
| Naphthalene SCHEMBL3892974 | 0.79 | GLRA1 (0.56) | TDP1GLRA1SLC6A9OR51E2FFAR1 | |
| Glycine SCHEMBL28123991 | 0.78 | — | — | |
| Benzene SCHEMBL7131871 | 0.78 | GLRA1 (0.83) | ALDH1A1GLRA1SLC6A9OR51E2FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790114-A | Novel chiral ligands, metallo-chelate, a variety of unnatural amino acids, the synthetic method of Malawi's promise and its key intermediate | 中国科学院上海药物研究所 | 2019-05-21 | — | — | CN | disclosed |
| CN-106380415-B | A kind of preparation method of D, L- phenylglycine and the like | 宁夏紫光天化蛋氨酸有限责任公司 | 2019-01-22 | — | — | CN | disclosed |
| CN-107879963-A | Novel chiral ligands, metallo-chelate, a variety of alpha-non-natural amino acids, the synthetic method of Malawi's promise and its key intermediate | 中国科学院上海药物研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-106380415-A | Preparation method for D, L-phenylglycine and analogue thereof | 宁夏紫光天化蛋氨酸有限责任公司 | 2017-02-08 | — | — | CN | disclosed |
| CN-101906408-B | Enzyme preparation for synthesizing D-aryl glycine through biocatalysis and preparation method and application thereof | UNIV HEBEI SCIENCE & TECH | 2013-04-17 | — | — | CN | disclosed |
| CN-101906408-A | Enzyme preparation for synthesizing D-aryl glycine through biocatalysis and preparation method and application thereof | UNIV HEBEI SCIENCE & TECH | 2010-12-08 | — | — | CN | disclosed |
| CN-101104862-B | Method for synthesizing D-arylglycine by using heterogeneous enzyme to catalytically hydrolyzing 5-arylhydantoin | UNIV HEBEI SCIENCE & TECH | 2010-05-19 | — | — | CN | disclosed |
| CN-101104862-A | Method for synthesizing D-arylglycine by using heterogeneous enzyme to catalytically hydrolyzing 5-arylhydantoin | UNIV HEBEI SCIENCE & TECH (CN) | 2008-01-16 | — | — | CN | disclosed |