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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.57 |
| ▸ | PLK1 | P53350 | 4/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4788357 | 0.87 | PLAU (0.49) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL8312097 | 0.78 | PLAU (0.62) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL761366 | 0.77 | PLAU (0.66) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL3033752 | 0.77 | HDAC6 (0.73) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL6640227 | 0.77 | PLAU (0.66) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL30369626 | 0.77 | PLAU (0.66) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL25338651 | 0.76 | LCK (0.56) | PLAUHPGDTSHRHTTSMN1; SMN2 | |
| SCHEMBL3028425 | 0.76 | PLAU (0.74) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL16811740 | 0.76 | PLAU (0.64) | PLAUPLK1HDAC8HDAC6HDAC2 | |
| SCHEMBL16302072 | 0.76 | PLAU (0.64) | PLAUPLK1HDAC8HDAC6HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008128038-A2 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-10-23 | — | — | WO | claimed |
| WO-2008128038-A2 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-10-23 | — | — | WO | disclosed |