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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 3/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL8529098 | 0.97 | ALDH1A1 (0.35) | ALDH1A1ALOX12HPGDALOX15CASP1 | |
| SCHEMBL525224 | 0.76 | ALDH1A1 (0.35) | ALDH1A1ALOX12HPGDALOX15CASP1 | |
| SCHEMBL10276733 | 0.71 | ALDH1A1 (0.35) | ALDH1A1ALOX15TDP1 | |
| SCHEMBL28890989 | 0.71 | TSHR (0.35) | ALDH1A1ALOX12TSHRCA4LMNA | |
| SCHEMBL688257 | 0.71 | TSHR (0.35) | ALDH1A1ALOX12TSHRCA4LMNA | |
| Bromide SCHEMBL7062604 | 0.69 | ALDH1A1 (0.35) | ALDH1A1ALOX12HPGDHSD17B10TSHR | |
| Iodide SCHEMBL27839733 | 0.69 | LMNA (0.33) | ALDH1A1ALOX12TSHRLMNAACHE | |
| Bromide SCHEMBL11060734 | 0.68 | ALDH1A1 (0.39) | ALDH1A1ALOX12HPGDALOX15CASP1 | |
| SCHEMBL6273950 | 0.67 | ALDH1A1 (0.40) | ALDH1A1ALOX12HPGDALOX15HSD17B10 | |
| SCHEMBL19318316 | 0.67 | ALDH1A1 (0.40) | ALDH1A1ALOX12HPGDALOX15HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4446123-A | QUATERNARY AMMONIUM, PHOSPHONIUM, OR ARSONIUM HALIDE | HAHNEMANN UNIVERSITY (US) | 1984-05-01 | — | — | US | claimed |
| US-4446123-A | QUATERNARY AMMONIUM, PHOSPHONIUM, OR ARSONIUM HALIDE | HAHNEMANN UNIVERSITY (US) | 1984-05-01 | — | — | US | disclosed |