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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CKS1B | P61024 | 1/20 | 0.48 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.48 |
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 SCHEMBL7524637 | 0.97 | CA1 (0.50) | CA1CA2CA12CA7XDH | |
| Bromide SCHEMBL7898722 | 0.89 | XDH (0.50) | CA1CA2CA12CA7XDH | |
| Bromide SCHEMBL11599708 | 0.86 | KDM4E (0.49) | HPGDALDH1A1HSD17B10LMNAMAPT | |
| Bromide SCHEMBL7292931 | 0.83 | MAPT (0.47) | HPGDALDH1A1HSD17B10HIF1ALMNA | |
| Bromide SCHEMBL8899989 | 0.83 | P4HB (0.46) | CA1CA2CA12CA7XDH | |
| Bromide SCHEMBL8901631 | 0.83 | PPARG (0.43) | ALDH1A1CYP1A2CYP2C19MAPTMEN1 | |
| Bromide SCHEMBL8323844 | 0.83 | DPP4 (0.47) | CA1CA2CA12CA7XDH | |
| Bromide SCHEMBL10980300 | 0.83 | KDM4E (0.49) | HPGDALDH1A1ALOX15HSD17B10LMNA | |
| SCHEMBL8408482 | 0.79 | HPGD (0.70) | CA1CA2CA12CA7XDH | |
| Bromide SCHEMBL2316144 | 0.79 | VCAM1 (0.49) | HPGDALDH1A1CYP1A2CYP3A4CYP2C9 |
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-6194450-B1 | KERATINIZATION DISORDERS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 2001-02-27 | — | — | US | disclosed |
| US-5849798-A | Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 1998-12-15 | — | — | US | disclosed |