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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 9/20 | 0.48 |
| ▸ | TOP2B | Q02880 | 9/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5001621 | 0.99 | TOP2A (0.49) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4995222 | 0.89 | TOP2A (0.42) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4993695 | 0.88 | KCNH2 (0.50) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4998901 | 0.87 | TOP2A (0.46) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4996031 | 0.86 | TOP2A (0.46) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4998733 | 0.85 | TOP2A (0.51) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4992199 | 0.84 | TOP2A (0.44) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4992175 | 0.84 | TOP2A (0.50) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4998739 | 0.84 | TOP2A (0.52) | TOP2ATOP2BKCNH2ALDH1A1KDM4E | |
| SCHEMBL4996671 | 0.81 | KCNH2 (0.47) | TOP2ATOP2BKCNH2ALDH1A1KDM4E |
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-0882725-B1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2002-12-18 | — | — | EP | disclosed |
| US-6025370-A | METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS | TOYAMA CHEMICAL CO., LTD. (JP) | 2000-02-15 | — | — | US | disclosed |
| EP-0882725-A1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 1998-12-09 | — | — | EP | disclosed |