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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
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 SCHEMBL22263142 | 0.89 | LMNA (0.43) | PARP1KDM4ECYP1A2MAPTMPO | |
| SCHEMBL22275592 | 0.88 | LMNA (0.44) | PARP1KDM4ECYP1A2MAPTMPO | |
| SCHEMBL27601273 | 0.80 | PARP1 (0.48) | PARP1P2RX7KDM4ECYP1A2MAPT | |
| SCHEMBL15966073 | 0.79 | PARP1 (0.52) | PARP1P2RX7KDM4ECYP1A2MAPT | |
| Bromide SCHEMBL20920041 | 0.78 | P2RX7 (0.47) | PARP1P2RX7KDM4EMAPTPLK1 | |
| SCHEMBL2160307 | 0.77 | PARP1 (0.51) | PARP1P2RX7KDM4ECYP1A2MAPT | |
| SCHEMBL7218347 | 0.76 | PARP1 (0.50) | PARP1P2RX7KDM4ECYP1A2MAPT | |
| Bromide SCHEMBL20920054 | 0.75 | GSK3B (0.44) | ADORA2AADORA1KMT2A | |
| SCHEMBL29289961 | 0.75 | PARP1 (0.49) | PARP1P2RX7KDM4ECYP1A2MAPT | |
| SCHEMBL19539578 | 0.71 | ALDH1A1 (0.47) | PARP1KDM4ECYP1A2MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019078246-A1 | IDO/TDO INHIBITOR | 一般社団法人ファルマバレープロジェクト支援機構 | 2019-04-25 | — | — | WO | disclosed |