Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzyl 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.74 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL28763610 | 0.89 | ALDH1A1 (0.82) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL3575272 | 0.86 | TSHR (0.78) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1066 | 0.86 | — | — | |
| Benzyl Bromide SCHEMBL5964841 | 0.86 | — | — | |
| SCHEMBL20389321 | 0.86 | TSHR (1.00) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL5757393 | 0.86 | TSHR (1.00) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL9000955 | 0.86 | TSHR (1.00) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1331189 | 0.86 | — | — | |
| Benzyl Bromide SCHEMBL3764294 | 0.83 | ALDH1A1 (0.82) | TSHRALDH1A1TRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL27727270 | 0.83 | ALDH1A1 (0.82) | TSHRALDH1A1TRPA1CES2CES1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118160746-A | Bactericide for preventing and treating diseases of leaves and fruits and preparation method thereof | 潍坊奥丰作物病害防治有限公司 | 2024-06-11 | — | — | CN | claimed |
| CN-108948326-A | A kind of super big hole cationic polymer and preparation method thereof that can remove bacterium in air | 宁波大学 | 2018-12-07 | — | — | CN | claimed |
| CN-118160746-A | Bactericide for preventing and treating diseases of leaves and fruits and preparation method thereof | 潍坊奥丰作物病害防治有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-104321060-B | Alpha-amino boronic acid derivative, selective immunoproteasome inhibitor | 阿雷斯贸易股份有限公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-106029066-A | Octahydro fused azadecalin glucocorticoid receptor modulators | 科赛普特治疗公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-1303377-A | Amino piperidine derivatives as integrin alpha beta 3 antagonists | MEIJI SEIKA KAISHA (JP) | 2001-07-11 | — | — | CN | disclosed |
| EP-0724543-B1 | SYNTHETIC POROUS CRYSTALLINE MCM-58, ITS SYNTHESIS AND USE | MOBIL OIL CORP (US) | 1999-10-20 | — | — | EP | disclosed |
| EP-0724543-A1 | SYNTHETIC POROUS CRYSTALLINE MCM-58, ITS SYNTHESIS AND USE | MOBIL OIL CORPORATION (US) | 1996-08-07 | — | — | EP | disclosed |
| EP-0724543-A4 | SYNTHETIC POROUS CRYSTALLINE MCM-58, ITS SYNTHESIS AND USE | MOBIL OIL CORP (US) | 1996-04-17 | — | — | EP | disclosed |
| US-5437855-A | Zeolite catalyst | MOBIL OIL CORP. (US) | 1995-08-01 | — | — | US | disclosed |
| WO-1995011196-A1 | SYNTHETIC POROUS CRYSTALLINE MCM-58, ITS SYNTHESIS AND USE | MOBIL OIL CORPORATION (US) | 1995-04-27 | — | — | WO | disclosed |