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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.56 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 SCHEMBL31318389 | 0.98 | S1PR1 (0.55) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL27287754 | 0.98 | S1PR1 (0.57) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL4419378 | 0.98 | S1PR1 (0.57) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL27551089 | 0.98 | S1PR1 (0.57) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL28111758 | 0.98 | S1PR1 (0.57) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL4298771 | 0.96 | CYP1A2 (0.58) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL18531651 | 0.94 | CYP1A2 (0.61) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL14539275 | 0.92 | S1PR1 (0.56) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL294038 | 0.92 | S1PR1 (0.56) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL22363324 | 0.92 | S1PR1 (0.56) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113735797-B | Extracting agent for extracting, rectifying and purifying dimethyl oxalate, preparation method thereof and purifying method of dimethyl oxalate | 天津博创工程科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-113735797-A | Extractant for extractive distillation purification of dimethyl oxalate, preparation method thereof and purification method of dimethyl oxalate | 天津博创工程科技有限公司 | 2021-12-03 | — | — | CN | disclosed |