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 | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 2/20 | 0.33 |
| ▸ | TDP2 | O95551 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CDC25B | P30305 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28072669 | 0.97 | MEN1 (0.35) | APAF1TDP2MEN1KMT2ACDC25B | |
| SCHEMBL37950 | 0.97 | MEN1 (0.35) | APAF1TDP2MEN1KMT2ACDC25B | |
| Hydrochloric Acid SCHEMBL4647777 | 0.94 | APAF1 (0.33) | APAF1TDP2MEN1KMT2ACDC25B | |
| Water SCHEMBL11357123 | 0.94 | APAF1 (0.33) | APAF1TDP2MEN1KMT2ACDC25B | |
| SCHEMBL31241401 | 0.94 | APAF1 (0.33) | APAF1TDP2MEN1KMT2ACDC25B | |
| SCHEMBL27461562 | 0.94 | APAF1 (0.33) | APAF1TDP2MEN1KMT2ACDC25B | |
| SCHEMBL640436 | 0.94 | APAF1 (0.33) | APAF1TDP2MEN1KMT2ACDC25B | |
| Alcohol SCHEMBL28141224 | 0.82 | APAF1 (0.32) | APAF1TDP2CES2CES1 | |
| Dioxane SCHEMBL3787148 | 0.82 | SMN1; SMN2 (0.41) | APAF1TDP2MEN1KMT2ANPC1 | |
| SCHEMBL27703211 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721619-B | Compound with benzimidazolone as core and application of compound in OLED device | 中节能万润股份有限公司 | 2021-01-26 | — | — | CN | disclosed |