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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326889 | 0.99 | MAOB (0.59) | MAOBKCNH2HRH3MAOA | |
| SCHEMBL27857326 | 0.88 | SPHK1 (0.57) | MAOBHRH3 | |
| SCHEMBL7757730 | 0.81 | MAOB (0.49) | MAOBMAOA | |
| SCHEMBL7757734 | 0.81 | MAOB (0.49) | MAOBMAOA | |
| SCHEMBL7757747 | 0.80 | MAOB (0.48) | MAOBMAOASLC6A4SLC6A3 | |
| SCHEMBL10750555 | 0.80 | MAOB (0.48) | MAOBMAOA | |
| SCHEMBL7757750 | 0.80 | MAOB (0.48) | MAOBMAOASLC6A4SLC6A3 | |
| SCHEMBL10750550 | 0.80 | MAOB (0.48) | MAOBMAOA | |
| SCHEMBL10260407 | 0.79 | MAOB (0.61) | MAOBKCNH2MAOA | |
| Bromide SCHEMBL9388149 | 0.79 | MAOA (0.60) | MAOBKCNH2HRH3MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994001403-A1 | PIPERIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-01-20 | — | — | WO | disclosed |
| CN-1061963-A | Be used as the croak pyridine class of the 4-replacement of medicine | SMITH KLINE FRENCH LAB (GB) | 1992-06-17 | — | — | CN | disclosed |