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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL240893 | 0.98 | ALDH1A1 (0.38) | ALDH1A1ATMNCF1TSHRCRHBP | |
| Quinoxaline SCHEMBL5268892 | 0.94 | ALDH1A1 (0.35) | ALDH1A1ATMNCF1TSHRCRHBP | |
| SCHEMBL29364156 | 0.83 | ALDH1A1 (0.41) | ALDH1A1ATMTSHRLMNAHTT | |
| SCHEMBL247478 | 0.83 | ALDH1A1 (0.41) | ALDH1A1ATMTSHRLMNAHTT | |
| SCHEMBL5894630 | 0.73 | METAP1 (0.32) | — | |
| SCHEMBL1747903 | 0.73 | KDM4A (0.31) | — | |
| SCHEMBL1015423 | 0.72 | NUDT1 (0.31) | TSHRLMNAHTTKDM4E | |
| SCHEMBL9317055 | 0.72 | ALDH1A1 (0.38) | ALDH1A1NCF1TSHR | |
| Quinoline SCHEMBL28190534 | 0.72 | ALDH1A1 (0.59) | ALDH1A1ATMTSHRLMNAHTT | |
| SCHEMBL5894455 | 0.71 | ALDH1A1 (0.41) | ALDH1A1ATMTSHRLMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620732-B1 | METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES | ALLERGAN INC (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-0549594-B1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME | ALLERGAN INC (US) | 1995-02-01 | — | — | EP | disclosed |