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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | DGKA | P23743 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL495191 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL494584 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL1483107 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL495925 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL19066941 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| Diethyl Octadecanedioate SCHEMBL496152 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL440349 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL6055406 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL33870 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 | |
| SCHEMBL494100 | 0.85 | CYP1A2 (0.70) | CYP1A2KMT2AALDH1A1TDP1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160148-A1 | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper cocatalyst, and a cycloaliphatic amine based promoter | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-11-06 | — | — | EP | disclosed |
| US-4533772-A | Process for directly hydroxylating olefins using an osmium-halide catalyst and oxygen oxidant | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-08-06 | — | — | US | disclosed |
| EP-0139498-A1 | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper co-catalyst, and an aromatic amine based promoter | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-05-02 | — | — | EP | disclosed |
| US-4496779-A | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper co-catalyst, and a cycloaliphatic amine based promoter | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-01-29 | — | — | US | disclosed |
| US-4496778-A | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper Co-catalyst, and an aromatic amine based promoter | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-01-29 | — | — | US | disclosed |