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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7274891 | 0.83 | GPR119 (0.50) | GPR119TSHRALOX15KDM4EPKM | |
| Chlorobenzene SCHEMBL28128624 | 0.83 | MEN1 (0.53) | GPR119KDM4EPKMESR2CKS1B | |
| Fluorobenzene SCHEMBL28128658 | 0.83 | MEN1 (0.52) | GPR119PDK4KDM4EPKMESR2 | |
| SCHEMBL137297 | 0.82 | USP2 (0.55) | GPR119KDM4EESR2ALDH1A1MAPT | |
| SCHEMBL689236 | 0.76 | HPGD (0.49) | GPR119KDM4EESR2NPC1MAPT | |
| SCHEMBL28128381 | 0.75 | GRM5 (0.45) | GPR119ESR2ALDH1A1GRM5GRM1 | |
| SCHEMBL507146 | 0.74 | NR1H2 (0.61) | GPR119PDK4KDM4EPKMESR2 | |
| Bromide SCHEMBL19284593 | 0.74 | GPR119 (0.59) | GPR119KDM4EPKMMAPK1NPC1 | |
| SCHEMBL1063509 | 0.73 | ESR2 (0.52) | GPR119KDM4EESR2MAPK1ALDH1A1 | |
| SCHEMBL13356478 | 0.72 | GPR119 (0.47) | GPR119TSHRALOX15PDK4KDM4E |
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-1756069-A4 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2007-11-28 | — | — | EP | disclosed |
| EP-1756069-A2 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005115398-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-08 | — | — | WO | disclosed |