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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.94 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9840 | 0.97 | — | — | |
| SCHEMBL14127433 | 0.97 | — | — | |
| SCHEMBL29427037 | 0.97 | — | — | |
| Bromide SCHEMBL28869684 | 0.94 | ALDH1A1 (0.83) | ALDH1A1TSHRACHECA1CA2 | |
| SCHEMBL29077748 | 0.94 | — | — | |
| Phosphine SCHEMBL9803033 | 0.94 | — | — | |
| Water SCHEMBL28006115 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL4260010 | 0.94 | — | — | |
| Fluoride SCHEMBL27279471 | 0.94 | — | — | |
| Benzene SCHEMBL28125416 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRACHECA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115181125-A | Di (o-benzyl) tin pyridine-2, 6-diformate complex as well as preparation method and application thereof | 衡阳师范学院 | 2022-10-14 | — | — | CN | claimed |
| CN-115181125-A | Di (o-benzyl) tin pyridine-2, 6-diformate complex as well as preparation method and application thereof | 衡阳师范学院 | 2022-10-14 | — | — | CN | disclosed |