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 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL16180511 | 0.90 | TSHR (0.46) | TACR1TSHRMAPK1HIF1ALTA4H | |
| SCHEMBL5083307 | 0.89 | TSHR (0.47) | TACR1TSHRMAPK1HIF1ALTA4H | |
| SCHEMBL5974364 | 0.83 | TACR1 (0.40) | TACR1TSHRACHECACNA1FCACNA1D | |
| Bromide SCHEMBL29076665 | 0.81 | MAOB (0.56) | HIF1AMAOBSIGMAR1ABCB1CYP1A2 | |
| SCHEMBL5973660 | 0.79 | MAOB (0.57) | HIF1AMAOBSIGMAR1ABCB1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4176842 | 0.78 | MAOB (0.56) | HIF1AMAOBSIGMAR1ABCB1KDM4E | |
| SCHEMBL7819280 | 0.76 | LTA4H (0.57) | HIF1ALTA4HCA4SIGMAR1USP2 | |
| Hydrochloric Acid SCHEMBL4598689 | 0.75 | LTA4H (0.55) | HIF1ALTA4HCA4SIGMAR1USP2 | |
| Bromide SCHEMBL1414594 | 0.74 | PTGS2 (0.47) | ABCB1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL18876993 | 0.73 | LTA4H (0.57) | TSHRLTA4HCA4SIGMAR1ALDH1A1 |
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-108017603-B | Tricyclic compounds and uses thereof | 株式会社蒂奥姆生物 | 2021-07-23 | — | — | CN | disclosed |