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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 6/20 | 0.35 |
| ▸ | RARG | P13631 | 6/20 | 0.35 |
| ▸ | RARA | P10276 | 5/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10816015 | 0.89 | RXRA (0.53) | RXRARXRBRARBRARGRARA | |
| SCHEMBL11215262 | 0.79 | RXRA (0.46) | RXRARXRBRARBRARGRARA | |
| SCHEMBL11227826 | 0.79 | RXRA (0.43) | RXRARXRBRARBRARGRARA | |
| SCHEMBL7787543 | 0.75 | ABCB11 (0.46) | RXRARXRBRARBRARGRARA | |
| SCHEMBL3175854 | 0.71 | RXRA (0.57) | RXRARXRBRARBRARGRARA | |
| Bromide SCHEMBL9860803 | 0.70 | RXRA (0.40) | RXRARXRBRARBRARGRARA | |
| SCHEMBL11240964 | 0.68 | RXRA (0.54) | RXRARXRBRARBRARGRARA | |
| SCHEMBL3541162 | 0.68 | RXRA (0.58) | RXRARXRBRARBRARGRARA | |
| SCHEMBL3179509 | 0.67 | CYP3A4 (0.37) | RXRARXRBRARBRARGRARA | |
| SCHEMBL24618514 | 0.66 | AKR1B1 (0.36) | RXRARXRBRARBRARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378705-A | Skin disorders, antiaging agents and antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1995-01-03 | — | — | US | disclosed |
| US-5250562-A | Skin disorders | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |
| US-5106981-A | Skin disorders | HOFFMANN-LA ROCHE INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-4940707-A | Stilbene derivatives for treatment of skin disorders | HOFFMAN-LA ROCHE INC. (US) | 1990-07-10 | — | — | US | disclosed |