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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.32 |
| ▸ | PHGDH | O43175 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL7802072 | 0.97 | — | — | |
| SCHEMBL31503132 | 0.97 | PHGDH (0.45) | PHGDHPOLBSMN1; SMN2CYP1A2TDP1 | |
| Methylpiperazine SCHEMBL11824164 | 0.97 | PHGDH (0.45) | PHGDHPOLBSMN1; SMN2CYP1A2TDP1 | |
| SCHEMBL1044666 | 0.97 | PHGDH (0.45) | PHGDHPOLBSMN1; SMN2CYP1A2TDP1 | |
| SCHEMBL10063830 | 0.97 | PHGDH (0.45) | PHGDHPOLBSMN1; SMN2CYP1A2TDP1 | |
| SCHEMBL16289999 | 0.93 | PHGDH (0.43) | PHGDHPOLBSMN1; SMN2CYP1A2TDP1 | |
| Methylpiperazine SCHEMBL54849 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678259 | 0.93 | — | — | |
| SCHEMBL154155 | 0.93 | PHGDH (0.41) | PHGDHPOLBSMN1; SMN2CXCR4ADRB1 | |
| Methylpiperazine SCHEMBL1363 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063637-A | SENSING MATERIAL OF METAL COMPLEXES HAVING AT LEAST TWO COORDINATION SITES FOR BINDING TARGET AND A DETECTOR FOR MEASURING THE PROTONS OR HYDROXIDE IONS RELEASED FROM THE SENSING MATERIAL WHEN ANALYTE IS BOUND | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2000-05-16 | — | — | US | disclosed |