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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | DAO | P14920 | 5/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL899479 | 0.98 | GSK3B (0.61) | GSK3BMEN1KMT2ADAOGPR35 | |
| Hydrochloric Acid SCHEMBL8935203 | 0.95 | GSK3B (0.59) | GSK3BMEN1KMT2ADAOGPR35 | |
| 4-Bromoaniline SCHEMBL9422575 | 0.82 | MEN1 (0.54) | GSK3BMEN1KMT2ADAOGPR35 | |
| SCHEMBL7043189 | 0.80 | GSK3B (0.57) | GSK3BMEN1KMT2ADAOALDH1A1 | |
| SCHEMBL8651250 | 0.79 | GSK3B (0.61) | GSK3BMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL2043829 | 0.77 | GSK3B (0.59) | GSK3BMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL30020630 | 0.77 | GPR35 (0.48) | GSK3BMEN1KMT2ADAOGPR35 | |
| SCHEMBL7892619 | 0.77 | GSK3B (0.62) | GSK3BMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL17201685 | 0.77 | DAO (0.45) | GSK3BMEN1KMT2ADAOGPR35 | |
| SCHEMBL9422580 | 0.77 | ALDH1A1 (0.47) | GSK3BMEN1KMT2ADAOALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5534541-A | THIOPHENE DERIVATIVES | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1996-07-09 | — | — | US | disclosed |