Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28262372 | 0.97 | TSHR (0.51) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| Hydrochloric Acid SCHEMBL28198021 | 0.97 | TSHR (0.51) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| Bromide SCHEMBL27827626 | 0.93 | TSHR (0.55) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| SCHEMBL27827627 | 0.92 | TSHR (0.56) | TSHRHPGDDNM1HTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27760619 | 0.90 | TSHR (0.55) | TSHRHPGDDNM1RAD52ALDH1A1 | |
| Iodide SCHEMBL27806989 | 0.87 | TSHR (0.51) | TSHRHPGDDNM1HTTALDH1A1 | |
| Bromide SCHEMBL3630565 | 0.86 | TSHR (0.59) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| Bromide SCHEMBL29140481 | 0.86 | TSHR (0.59) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| Bromide SCHEMBL28635420 | 0.86 | TSHR (0.59) | TSHRHPGDDNM1HSP90AA1RAD52 | |
| Bromide SCHEMBL29140477 | 0.86 | TSHR (0.59) | TSHRHPGDDNM1HSP90AA1RAD52 |
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-107076674-A | Analysis method using SERS and the composition for methods described | 庄信万丰股份有限公司 | 2017-08-18 | — | — | CN | disclosed |