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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 SCHEMBL6554591 | 0.97 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1TSHR | |
| Fluoride Ion SCHEMBL7108100 | 0.97 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1TSHR | |
| Bromide SCHEMBL6553179 | 0.81 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1TSHR | |
| SCHEMBL509012 | 0.80 | TSHR (0.57) | ESR1ESR2KMT2AMEN1TSHR | |
| Bromide SCHEMBL7115821 | 0.79 | ESR1 (0.50) | ESR1ESR2KMT2AMEN1TSHR | |
| SCHEMBL23935895 | 0.78 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1TSHR | |
| Fluoride Ion SCHEMBL6553165 | 0.78 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1TSHR | |
| Hydrochloric Acid SCHEMBL6554710 | 0.78 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1TSHR | |
| Bromide SCHEMBL6552943 | 0.77 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1TSHR | |
| Bromide SCHEMBL6552813 | 0.77 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834515-B1 | New Organotransition Metal Compounds | KANTO KAGAKU (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-5892075-A | Process for synthesizing metallocene compounds | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0834514-A2 | Process for synthesizing metallocene compounds | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0834515-A2 | Transition-metal containing organic compounds and their use as catalysts for olefin polymerization | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1998-04-08 | — | — | EP | disclosed |