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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.35 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 7/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9802357 | 0.98 | NOTUM (0.40) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| SCHEMBL30358368 | 0.80 | NOTUM (0.35) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| SCHEMBL7561562 | 0.78 | NOTUM (0.53) | NOTUMKDM1AALDH1A1LMNAMAPT | |
| SCHEMBL27837418 | 0.77 | BCHE (0.38) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| Bromide SCHEMBL9694609 | 0.75 | MAOA (0.45) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| SCHEMBL627227 | 0.72 | MAOA (0.46) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| SCHEMBL17133860 | 0.72 | PTGS1 (0.41) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| Bromide SCHEMBL28911957 | 0.72 | HPGD (0.36) | KDM1APTGS1PTGS2HTR1ADRD3 | |
| Iodide SCHEMBL2234376 | 0.71 | MAOA (0.45) | NOTUMMAOAKDM1APTGS1PTGS2 | |
| Iodide SCHEMBL9188780 | 0.71 | MAOA (0.45) | NOTUMMAOAKDM1APTGS1PTGS2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5097089-A | By self-condensation to dihydroxyacetone which is separated and catalytically hydrogenated | BP CHEMICALS LIMITED (GB) | 1992-03-17 | — | — | US | claimed |
| EP-0274226-B1 | PROCESS FOR THE PRODUCTION OF GLYCEROL FROM FORMALDEHYDE | BP Chemicals Limited (GB) | 1991-03-13 | — | — | EP | claimed |
| EP-0306215-A2 | Synthesis of glycerol from formaldehyde | BP Chemicals Limited (GB) | 1989-03-08 | — | — | EP | claimed |
| EP-0274226-A1 | Process for the production of glycerol from formaldehyde | BP Chemicals Limited (GB) | 1988-07-13 | — | — | EP | claimed |
| WO-1988004287-A1 | PROCESS FOR THE PRODUCTION OF GLYCEROL FROM FORMALDEHYDE | BP CHEMICALS LIMITED (GB) | 1988-06-16 | — | — | WO | claimed |
| US-5097089-A | By self-condensation to dihydroxyacetone which is separated and catalytically hydrogenated | BP CHEMICALS LIMITED (GB) | 1992-03-17 | — | — | US | disclosed |
| EP-0474387-A1 | Synthesis of alpha-hydroxy ketones | BP Chemicals Limited (GB) | 1992-03-11 | — | — | EP | disclosed |
| US-5087761-A | Condensing aldehydes in liquid phase with active catalyst formed by removing anion from thiazolium salt | BP CHEMICALS LIMITED (GB) | 1992-02-11 | — | — | US | disclosed |
| EP-0274226-B1 | PROCESS FOR THE PRODUCTION OF GLYCEROL FROM FORMALDEHYDE | BP Chemicals Limited (GB) | 1991-03-13 | — | — | EP | disclosed |
| EP-0410613-A1 | Synthesis of alpha-hydroxy ketones | BP Chemicals Limited (GB) | 1991-01-30 | — | — | EP | disclosed |
| EP-0306215-A2 | Synthesis of glycerol from formaldehyde | BP Chemicals Limited (GB) | 1989-03-08 | — | — | EP | disclosed |
| US-4775448-A | THIN FILM EVAPORATORS TO DISTIL DIHYDROXYACETONE FROM SOLVENT | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-04 | — | — | US | disclosed |
| EP-0274226-A1 | Process for the production of glycerol from formaldehyde | BP Chemicals Limited (GB) | 1988-07-13 | — | — | EP | disclosed |
| WO-1988004287-A1 | PROCESS FOR THE PRODUCTION OF GLYCEROL FROM FORMALDEHYDE | BP CHEMICALS LIMITED (GB) | 1988-06-16 | — | — | WO | disclosed |
| EP-0245976-A1 | Process for the isolation of dihydroxyacetone | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-19 | — | — | EP | disclosed |