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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SLC6A11 | P48066 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7477000 | 1.00 | SLC6A1 (0.51) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7471817 | 0.98 | SLC6A1 (0.52) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7471811 | 0.98 | SLC6A1 (0.52) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL28959996 | 0.84 | BCHE (0.55) | CYP1A2CYP2D6CYP2C9TSHRNFKB1 | |
| SCHEMBL3865049 | 0.84 | SLC6A1 (0.55) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL3840286 | 0.82 | SLC6A1 (0.54) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL3841038 | 0.82 | SLC6A1 (0.54) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL3839566 | 0.82 | SLC6A1 (0.54) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL3844126 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9TSHRNFKB1 | |
| SCHEMBL6360035 | 0.81 | SLC6A1 (0.52) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178973-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | Pharmacia AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000076984-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | BIOVITRUM AB (SE) | 2000-12-21 | — | — | WO | disclosed |
| US-5608069-A | TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID | NOVO NORDISK A/S (DK) | 1997-03-04 | — | — | US | disclosed |
| EP-0705246-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000483-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1995-01-05 | — | — | WO | disclosed |