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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | METAP2 | P50579 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884021 | 0.99 | KCNH2 (0.48) | KCNH2CYP3A4METAP2IDO1CYP2C9 | |
| SCHEMBL2878972 | 0.81 | NOS1 (0.39) | METAP2IDO1NOS1DRD1RHEB | |
| SCHEMBL4556523 | 0.79 | DRD1 (0.37) | CYP3A4METAP2IDO1CYP2C9CYP2C19 | |
| SCHEMBL2881365 | 0.78 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13045724 | 0.78 | NOS1 (0.36) | METAP2NOS1DRD1RHEB | |
| SCHEMBL2883149 | 0.78 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2878670 | 0.76 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4556277 | 0.73 | KCNH2 (0.43) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2511368 | 0.72 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL15894169 | 0.72 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |