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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31390038 | 0.97 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL64806 | 0.97 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrazine SCHEMBL28260617 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL28259949 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL28218689 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL27653414 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL1286518 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL430346 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Naphthalene SCHEMBL28349112 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrogen Sulfide SCHEMBL28320748 | 0.95 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0315959-B1 | Quinoxaline compounds and their preparation and use | NOVO NORDISK AS (DK) | 1994-03-02 | — | — | EP | disclosed |
| US-5026704-A | Neuroleptic agent, quisqualate-antagonist | NOVO NORDISK A/S (DK) | 1991-06-25 | — | — | US | disclosed |
| US-4948794-A | NEUROLEPTIC AGENTS | A/S FERROSAN (DK) | 1990-08-14 | — | — | US | disclosed |