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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ACP3 | P15309 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 SCHEMBL10795466 | 0.96 | TDP1 (0.42) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL30085602 | 0.96 | TDP1 (0.46) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL10792614 | 0.96 | TDP1 (0.46) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL30637851 | 0.94 | TDP1 (0.44) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10791630 | 0.92 | TDP1 (0.42) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| Bromide SCHEMBL10795463 | 0.92 | TDP1 (0.42) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10791016 | 0.92 | TDP1 (0.42) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL9854376 | 0.92 | TDP1 (0.46) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL6752713 | 0.85 | TDP1 (0.41) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| Bromide SCHEMBL31338836 | 0.84 | CYP3A4 (0.42) | TDP1CYP3A4DRD1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0248951-A2 | Process for producing branched carbonylation products from alpha unsaturated olefins | ATLANTIC RICHFIELD COMPANY (US) | 1987-12-16 | — | — | EP | disclosed |
| US-4612390-A | PHOSPHINE PALLADIUM CATALYST | ATLANTIC RICHFIELD COMPANY (US) | 1986-09-16 | — | — | US | disclosed |