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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3740454 | 0.98 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1KCNH2KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL1485396 | 0.95 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1KCNH2KDM4ECYP2D6 | |
| Water SCHEMBL2723608 | 0.95 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1KCNH2KDM4ECYP2D6 | |
| Oxygen SCHEMBL27543875 | 0.93 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1KCNH2KDM4ECYP2D6 | |
| SCHEMBL10363728 | 0.80 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1KCNH2KDM4E | |
| SCHEMBL21149318 | 0.80 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1KCNH2KDM4E | |
| SCHEMBL18250309 | 0.77 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1KCNH2CYP2D6TSHR | |
| SCHEMBL18250230 | 0.77 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1KCNH2CYP2D6TSHR | |
| SCHEMBL444096 | 0.75 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL14156101 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1KDM4ECYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012002913-A1 | PROCESS OF FORMING A CYCLIC IMIDE | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-01-05 | — | — | WO | disclosed |