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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 17/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
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 SCHEMBL7092913 | 1.00 | DRD1 (0.64) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Bromide SCHEMBL7092911 | 1.00 | DRD1 (0.64) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL7000255 | 0.99 | DRD1 (0.65) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL6995761 | 0.99 | DRD1 (0.65) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL6995768 | 0.99 | DRD1 (0.65) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Bromide SCHEMBL6995271 | 0.90 | DRD1 (0.62) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Bromide SCHEMBL7096058 | 0.90 | DRD1 (0.62) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Bromide SCHEMBL7096060 | 0.90 | DRD1 (0.62) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Bromide SCHEMBL1596493 | 0.90 | ADRA2A (0.67) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL6998486 | 0.89 | DRD1 (0.63) | DRD1KDM4ETP53CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015446-B1 | (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS | AVENTIS PHARMA INC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6004982-A | SIDE EFFECT REDUCTION; SCHIZOPHRENIA | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |