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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.64 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL329301 | 0.98 | ADRB1 (0.67) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL329728 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL2332676 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL21065768 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL31468714 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL329640 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL16446848 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| Lithium SCHEMBL31448665 | 0.95 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL6767674 | 0.93 | ADRB1 (0.62) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL21065736 | 0.93 | ADRB1 (0.62) | ADRB1ALDH1A1HPGDSMN1; SMN2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381235-A2 | Pyrrolidine compound and pharmaceutical use | Eisai Co., Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |