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 | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.73 |
| ▸ | DRD4 | P21917 | 11/20 | 0.73 |
| ▸ | DRD3 | P35462 | 8/20 | 0.73 |
| ▸ | ESR1 | P03372 | 7/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
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 SCHEMBL11558499 | 1.00 | DRD2 (0.73) | DRD2DRD4DRD3ESR1KMT2A | |
| Hydrochloric Acid SCHEMBL11649275 | 0.97 | DRD2 (0.73) | DRD2DRD4DRD3ESR1KMT2A | |
| Hydrochloric Acid SCHEMBL28934886 | 0.97 | DRD2 (0.73) | DRD2DRD4DRD3ESR1KMT2A | |
| SCHEMBL7991599 | 0.97 | DRD2 (0.79) | DRD2DRD4DRD3ESR1KMT2A | |
| SCHEMBL9447177 | 0.92 | LTA4H (0.71) | DRD2DRD4DRD3ESR1LTA4H | |
| SCHEMBL21453106 | 0.91 | DRD2 (0.81) | DRD2DRD4DRD3KMT2ALTA4H | |
| Nitrogen SCHEMBL8486432 | 0.90 | DRD2 (0.62) | DRD2DRD4DRD3ESR1KMT2A | |
| SCHEMBL11348787 | 0.89 | TSHR (0.65) | DRD2DRD4DRD3ESR1LTA4H | |
| SCHEMBL11352668 | 0.87 | TSHR (0.67) | DRD2DRD4DRD3KMT2ALTA4H | |
| SCHEMBL11895180 | 0.86 | DRD2 (0.67) | DRD2DRD4DRD3KMT2ALTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0864315-B1 | Oral composition | SUNSTAR INC (JP) | 2004-12-15 | — | — | EP | disclosed |
| US-5972312-A | COMPRISING CATIONIC BACTERICIDE AND HYDROXYPROPYLMETHYL CELLULOSE PACKED INTO CONTAINER CAPABLE OF EJECTING OR SPRAYING IN A PREDETERMINED AMOUNT; FOR TREATMENT AND PREVENTION OF ORAL DISEASES SUCH AS PERIODONTITIS, TOOTH DECAY | SUNSTAR INC. (JP) | 1999-10-26 | — | — | US | disclosed |
| EP-0864315-A2 | Oral composition | SUNSTAR INC. (JP) | 1998-09-16 | — | — | EP | disclosed |