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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.43 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11509451 | 0.89 | HCAR3 (0.52) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7177890 | 0.89 | MAPT (0.59) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17582804 | 0.86 | MAPT (0.57) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8885726 | 0.86 | ALDH1A1 (0.59) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8884398 | 0.85 | ALDH1A1 (0.58) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL3874975 | 0.85 | ALDH1A1 (0.58) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8883112 | 0.83 | MAPT (0.51) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22587923 | 0.79 | MAPT (0.56) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31285827 | 0.79 | MAPK1 (0.58) | MAPTCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL11507419 | 0.79 | MAPK1 (0.58) | MAPTCYP1A2CYP2C9CYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4470989-A | Neuroleptic n-oxacyclyl-alkylpiperidine derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-11 | — | — | US | disclosed |
| EP-0068261-A1 | N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-01-05 | — | — | EP | disclosed |