Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.53 |
| ▸ | FDPS | P14324 | 16/20 | 0.49 |
| ▸ | PON1 | P27169 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL899122 | 0.98 | MEN1 (0.53) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Hydrochloric Acid SCHEMBL960557 | 0.96 | MEN1 (0.51) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL1758470 | 0.96 | MEN1 (0.51) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL28513263 | 0.93 | MEN1 (0.65) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL28492494 | 0.93 | MEN1 (0.65) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL28520890 | 0.93 | MEN1 (0.65) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL11540384 | 0.93 | MEN1 (0.65) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL17926156 | 0.92 | MEN1 (0.55) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL556687 | 0.92 | MEN1 (0.55) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL961669 | 0.92 | MEN1 (0.59) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108636456-B | Salen metal complex catalyst, and preparation method and application thereof | 广东工业大学 | 2021-03-16 | — | — | CN | claimed |
| CN-108636456-B | Salen metal complex catalyst, and preparation method and application thereof | 广东工业大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-107715918-B | Heterogeneous catalyst and method for preparing cyclic carbonate by using same | 江苏苏博特新材料股份有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111333582-A | Imidazolyl organic molybdenum ionic liquid and preparation method thereof | 辽宁大学 | 2020-06-26 | — | — | CN | disclosed |