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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.49 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL11196105 | 0.86 | NCF1 (0.83) | NCF1ALDH1A1HTTKDM4EHPGD | |
| Bromide SCHEMBL27724956 | 0.84 | PRMT6 (0.61) | ALDH1A1HTTKDM4EHRH3SMN1; SMN2 | |
| Bromide SCHEMBL27801849 | 0.83 | ALDH1A1 (0.62) | ALDH1A1HTTKDM4EHRH3SMN1; SMN2 | |
| SCHEMBL6409204 | 0.81 | NCF1 (0.60) | NCF1ALDH1A1HTTKDM4EHPGD | |
| Bromide SCHEMBL6818235 | 0.80 | NCF1 (0.64) | NCF1ALDH1A1HTTKDM4EHPGD | |
| Bromide SCHEMBL27778714 | 0.79 | HRH3 (0.69) | NCF1ALDH1A1HPGDNOS1HRH3 | |
| SCHEMBL208910 | 0.79 | NCF1 (0.62) | NCF1ALDH1A1HTTKDM4EHPGD | |
| SCHEMBL31528286 | 0.79 | NCF1 (0.62) | NCF1ALDH1A1HTTKDM4EHPGD | |
| SCHEMBL23182936 | 0.78 | NCF1 (0.71) | NCF1ALDH1A1HTTKDM4EHPGD | |
| SCHEMBL15189005 | 0.78 | NCF1 (0.66) | NCF1ALDH1A1HTTKDM4EHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101652383-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2013-09-18 | — | — | CN | disclosed |
| CN-102245613-A | Phenyl and heteroaryl substituted thieno[2, 3-d] pyrimidines and their use as adenosine A2a receptor antagonists | JANSSEN PHARMACEUTICA NV | 2011-11-16 | — | — | CN | disclosed |
| CN-101652383-A | Hepatitis c virus inhibitors | SQUIBB BRISTOL MYERS CO US | 2010-02-17 | — | — | CN | disclosed |