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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | DGKA | P23743 | 1/20 | 0.48 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7653012 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL1284223 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Bromide SCHEMBL10982026 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Bromide SCHEMBL10984123 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL20501205 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL4004213 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL3959012 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL10994303 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Hydrochloric Acid SCHEMBL8979496 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR | |
| Bromide SCHEMBL10985862 | 0.98 | CYP1A2 (0.80) | CYP1A2ALDH1A1ALOX15TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4555520-A | 2-Pyridylcarboxamides which inhibit arachidonic acid release | E. R. SQUIBB & SONS, INC. (US) | 1985-11-26 | — | — | US | disclosed |