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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 11/20 | 0.53 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 4/20 | 0.53 |
| ▸ | HTR2B | P41595 | 4/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11441053 | 0.87 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11428072 | 0.86 | HTR2A (0.42) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11243189 | 0.82 | SMN1; SMN2 (0.44) | SIGMAR1HTR2ADRD2MAPTKMT2A | |
| Bromide SCHEMBL11241487 | 0.81 | OPRM1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11441059 | 0.80 | SIGMAR1 (0.41) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| Bromide SCHEMBL11252969 | 0.80 | OPRL1 (0.48) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL11251599 | 0.80 | OPRM1 (0.47) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11476443 | 0.79 | SIGMAR1 (0.53) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11249107 | 0.75 | DRD2 (0.57) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| Bromide SCHEMBL11433552 | 0.75 | HTR2A (0.41) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 |
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-0013424-B1 | SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-11-17 | — | — | EP | disclosed |
| US-4198420-A | Spiro[dibenz(b,f)thiepin-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |