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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 8/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16476439 | 0.99 | KDM4E (0.42) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL14377117 | 0.88 | KDM4E (0.44) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL16476452 | 0.85 | KDM4E (0.42) | KDM4EMEN1KMT2AUSP2MAPT | |
| Bromide SCHEMBL15901676 | 0.83 | KDM4E (0.40) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL15908087 | 0.82 | KDM4E (0.40) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL19415820 | 0.82 | KDM4E (0.41) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL15908096 | 0.81 | KDM4E (0.41) | KDM4EMEN1KMT2AUSP2MAPT | |
| Bromide SCHEMBL15901561 | 0.81 | BRD4 (0.42) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL22653180 | 0.80 | BRD4 (0.42) | KDM4EMEN1KMT2AUSP2MAPT | |
| SCHEMBL16476446 | 0.80 | KDM4E (0.43) | KDM4EMEN1KMT2AUSP2MAPT |
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-9185913-B2 | 10H-benzo[g]pteridine-2,4-dione derivatives, method for the production thereof, and use thereof | TRIOPTOTEC GMBH (DE) | 2015-11-17 | — | — | US | disclosed |