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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.86 |
| ▸ | THRB | P10828 | 1/20 | 0.86 |
| ▸ | BLM | P54132 | 1/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.86 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.86 |
| ▸ | PTPRC | P08575 | 2/20 | 0.72 |
| ▸ | TDP2 | O95551 | 3/20 | 0.70 |
| ▸ | NSD2 | O96028 | 3/20 | 0.70 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.70 |
| ▸ | ABL1 | P00519 | 1/20 | 0.70 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.70 |
| ▸ | CES1 | P23141 | 1/20 | 0.70 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | S100A4 | P26447 | 6/20 | 0.63 |
| ▸ | CDC25B | P30305 | 4/20 | 0.63 |
| ▸ | CTSL | P07711 | 1/20 | 0.61 |
| ▸ | CTSS | P25774 | 1/20 | 0.61 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.61 |
| ▸ | PADI1 | Q9ULC6 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29503833 | 0.97 | MEN1 (0.90) | MEN1THRBBLMKMT2ATDP1 | |
| SCHEMBL730769 | 0.97 | MEN1 (0.90) | MEN1THRBBLMKMT2ATDP1 | |
| Phanquone SCHEMBL462025 | 0.92 | MEN1 (1.00) | MEN1THRBBLMKMT2ATDP1 | |
| Phanquone SCHEMBL30659794 | 0.92 | MEN1 (1.00) | MEN1THRBBLMKMT2ATDP1 | |
| Phanquone SCHEMBL7633567 | 0.92 | MEN1 (1.00) | MEN1THRBBLMKMT2ATDP1 | |
| Phanquone SCHEMBL30956643 | 0.92 | MEN1 (1.00) | MEN1THRBBLMKMT2ATDP1 | |
| SCHEMBL5915061 | 0.90 | GAA (0.86) | MEN1THRBBLMKMT2ATDP1 | |
| Bromide SCHEMBL28836578 | 0.89 | PTPRC (0.84) | MEN1THRBBLMKMT2ATDP1 | |
| SCHEMBL5915065 | 0.87 | TDP2 (0.81) | MEN1THRBBLMKMT2ATDP1 | |
| Tert-Butanol SCHEMBL28112334 | 0.86 | MEN1 (0.64) | MEN1THRBBLMKMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106188037-B | A kind of compound and its application based on the Fluorenone of 1,8 diaza 9 | 中节能万润股份有限公司 | 2018-02-06 | — | — | CN | claimed |
| CN-106188037-A | A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof | 中节能万润股份有限公司 | 2016-12-07 | — | — | CN | claimed |
| CN-106188037-B | A kind of compound and its application based on the Fluorenone of 1,8 diaza 9 | 中节能万润股份有限公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-106188037-A | A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof | 中节能万润股份有限公司 | 2016-12-07 | — | — | CN | disclosed |