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 | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | TRHR | P34981 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.38 |
| ▸ | MMP3 | P08254 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10864928 | 0.99 | OPRM1 (0.43) | OPRM1DPP4DPP8DPP9TRHR | |
| Bromide SCHEMBL7325997 | 0.87 | DPP4 (0.43) | DPP4DPP8DPP9TRHR | |
| Bromide SCHEMBL5735593 | 0.87 | DPP4 (0.43) | DPP4DPP8DPP9TRHR | |
| Bromide SCHEMBL7325613 | 0.87 | DPP4 (0.43) | DPP4DPP8DPP9TRHR | |
| SCHEMBL29649761 | 0.86 | OPRM1 (0.44) | OPRM1OPRD1OPRK1 | |
| SCHEMBL29566393 | 0.86 | OPRM1 (0.44) | OPRM1OPRD1OPRK1 | |
| SCHEMBL1000429 | 0.86 | DPP4 (0.44) | DPP4DPP8DPP9TRHR | |
| SCHEMBL4595209 | 0.86 | DPP4 (0.44) | DPP4DPP8DPP9 | |
| SCHEMBL5734357 | 0.86 | DPP4 (0.44) | DPP4DPP8DPP9 | |
| SCHEMBL1000430 | 0.86 | DPP4 (0.44) | DPP4DPP8DPP9TRHR |
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-0171159-B1 | SUBSTITUTED AZETIDINONE COMPOUNDS, THEIR PREPARATION, AND MEDICAMENTS CONTAINING THEM | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-05-30 | — | — | EP | disclosed |
| EP-0171159-A1 | Substituted azetidinone compounds, their preparation, and medicaments containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1986-02-12 | — | — | EP | disclosed |