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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.50 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.50 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL92331 | 0.98 | L3MBTL1 (0.56) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Hydrochloric Acid SCHEMBL4768580 | 0.97 | L3MBTL1 (0.54) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| SCHEMBL10765650 | 0.90 | L3MBTL1 (0.59) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| SCHEMBL7996202 | 0.89 | ENPP2 (0.51) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Trifluoroacetic Acid SCHEMBL28701154 | 0.87 | L3MBTL1 (0.46) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| SCHEMBL7265760 | 0.86 | DDB1 (0.48) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| SCHEMBL931348 | 0.83 | SIGMAR1 (0.49) | L3MBTL1SIGMAR1GSK3AGSK3BKMT2A | |
| Tert-Butyl Formate SCHEMBL27800995 | 0.83 | L3MBTL1 (0.43) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| SCHEMBL4694508 | 0.83 | CYP2C9 (0.67) | SIGMAR1KMT2ACYP2C9CYP2C19MEN1 | |
| SCHEMBL4692001 | 0.83 | MEN1 (0.47) | L3MBTL1SIGMAR1KMT2ACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107098886-B | Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |