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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5419484 | 0.88 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| Bromide SCHEMBL16555986 | 0.83 | KDM1A (0.45) | TSHRHTR2ACHRNA7CYP1A2CYP2A6 | |
| Bromide SCHEMBL1681703 | 0.82 | MMP1 (0.38) | TSHRHTR2ACHRNA7CYP1A2CYP2A6 | |
| Bromide SCHEMBL1681292 | 0.82 | POLB (0.50) | SLC6A2SLC6A3TSHRCYP1A2 | |
| Bromide SCHEMBL5829428 | 0.81 | CHRNA7 (0.39) | SLC6A4SLC6A2SLC6A3TSHRCASR | |
| Bromide SCHEMBL7804211 | 0.80 | HTR2A (0.54) | TSHRHTR2ACYP1A2 | |
| Bromide SCHEMBL7930519 | 0.79 | IDO1 (0.46) | SLC6A4CYP1A2 | |
| Bromide SCHEMBL5444015 | 0.79 | HTR1A (0.43) | SLC6A4HTR2A | |
| Bromide SCHEMBL4288442 | 0.79 | GAA (0.47) | SLC6A2SLC6A3TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL11422473 | 0.78 | CHRNA7 (0.39) | SLC6A4SLC6A2SLC6A3TSHRCASR |
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 |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |