Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 SCHEMBL7734025 | 0.90 | ALDH1A1 (0.31) | ALDH1A1TSHRTDP1CA12CA2 | |
| SCHEMBL64976 | 0.89 | — | — | |
| SCHEMBL2588580 | 0.73 | MAPT (0.41) | — | |
| SCHEMBL2754416 | 0.70 | CA12 (0.40) | ALDH1A1TSHRTDP1CA12CA2 | |
| Bromide SCHEMBL7733802 | 0.70 | CA12 (0.61) | ALDH1A1TSHRTDP1CA12CA2 | |
| SCHEMBL1701925 | 0.70 | ALDH1A1 (0.31) | ALDH1A1TSHRTDP1CA12CA2 | |
| Dimethylformamide SCHEMBL11622822 | 0.68 | TSHR (0.64) | TSHR | |
| SCHEMBL11201562 | 0.68 | — | — | |
| SCHEMBL1702199 | 0.67 | CA12 (0.38) | CA12CA2CA3CA4CA6 | |
| SCHEMBL13100408 | 0.67 | — | — |
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-6399738-B1 | OXIDATIVE CARBONYLATION OF AROMATIC HYDROXY COMPOUND WITH CARBON MONOXIDE AND OXYGEN | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |