Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 5-Bromosalicylaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 8/20 | 0.81 |
| ▸ | CASP1 | P29466 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 5-Bromosalicylaldehyde SCHEMBL28108942 | 0.90 | ERN1 (0.92) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL29399181 | 0.90 | ERN1 (1.00) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL79219 | 0.90 | ERN1 (1.00) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL7633780 | 0.89 | ERN1 (0.88) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL28337235 | 0.88 | ERN1 (0.96) | ERN1CASP1CA12CA9CDK1 | |
| Alcohol SCHEMBL28467997 | 0.85 | ERN1 (0.58) | ERN1CASP1CA12CA9PTGDR2 | |
| 5-Bromosalicylaldehyde SCHEMBL27802349 | 0.85 | ERN1 (0.81) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL28005058 | 0.84 | ERN1 (0.67) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL27927575 | 0.84 | ERN1 (0.67) | ERN1CASP1CA12CA9CDK1 | |
| 5-Bromosalicylaldehyde SCHEMBL27946118 | 0.82 | ERN1 (0.65) | ERN1CASP1CA12CA9CDK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749294-B | A kind of rhodamine B binary channels fluorescence probe and application | 东南大学 | 2019-04-30 | — | — | CN | disclosed |
| CN-106749294-A | A kind of rhodamine B binary channels fluorescence probe and application | 东南大学 | 2017-05-31 | — | — | CN | disclosed |