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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9410108 | 0.94 | HDAC8 (0.39) | HDAC8HDAC6MCL1DAOAURKA | |
| Hydrochloric Acid SCHEMBL7112008 | 0.94 | HDAC8 (0.39) | HDAC8HDAC6MCL1DAOAURKA | |
| Fluoride Ion SCHEMBL7114972 | 0.94 | HDAC8 (0.39) | HDAC8HDAC6MCL1DAOAURKA | |
| Hydrochloric Acid SCHEMBL9410119 | 0.92 | HDAC8 (0.37) | HDAC8HDAC6MCL1DAOAURKA | |
| Tetrahydrofuran SCHEMBL7112047 | 0.78 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8459645 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8459428 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8460006 | 0.67 | HDAC8 (0.32) | HDAC8HDAC6 | |
| SCHEMBL22491964 | 0.63 | — | — | |
| Bromide SCHEMBL14953814 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | 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 |