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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22340381 | 0.99 | TSHR (0.40) | TSHRHSD17B10HPGDMAPTTP53 | |
| SCHEMBL22340625 | 0.85 | USP2 (0.32) | TSHRHSD17B10MAPTTP53KMT2A | |
| SCHEMBL11242321 | 0.77 | ALDH1A1 (0.48) | TSHRHSD17B10HPGDMAPTTP53 | |
| SCHEMBL25440037 | 0.72 | TSHR (0.48) | TSHRHSD17B10HPGDMAPTGAA | |
| SCHEMBL25440117 | 0.68 | TSHR (0.41) | TSHRHSD17B10HPGDMAPTALDH1A1 | |
| SCHEMBL8971406 | 0.67 | TSHR (0.48) | TSHRHSD17B10MAPTALDH1A1KMT2A | |
| SCHEMBL22340380 | 0.67 | LTB4R (0.34) | TSHRHSD17B10HPGDMAPTTP53 | |
| Bromide SCHEMBL23458460 | 0.66 | HPGD (0.36) | TSHRHSD17B10HPGDMAPTTP53 | |
| SCHEMBL14375710 | 0.66 | ALDH1A1 (0.49) | TSHRHSD17B10HPGDMAPTALDH1A1 | |
| SCHEMBL22322458 | 0.66 | ALDH1A1 (0.35) | TSHRHSD17B10HPGDMAPTALDH1A1 |
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-2020161162-A1 | HERBICIDAL PYRIDINIUM COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |