Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 16/20 | 0.42 |
| ▸ | RXRB | P28702 | 11/20 | 0.41 |
| ▸ | RXRG | P48443 | 10/20 | 0.41 |
| ▸ | RARB | P10826 | 6/20 | 0.37 |
| ▸ | RARG | P13631 | 5/20 | 0.37 |
| ▸ | RARA | P10276 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5735587 | 0.82 | RARB (0.52) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7678248 | 0.81 | RXRA (0.53) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL5737550 | 0.75 | FFAR1 (0.43) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL5736646 | 0.72 | RARB (0.41) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL9208986 | 0.70 | RXRA (0.78) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL5736240 | 0.69 | RARB (0.53) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL7137604 | 0.67 | RARB (0.50) | RXRARXRBRARBRARGRARA | |
| Terephthalic Acid SCHEMBL4612225 | 0.66 | TSHR (0.67) | RARBRARAMEN1DRD1KMT2A | |
| SCHEMBL70166 | 0.66 | TSHR (0.67) | RARBRARAMEN1DRD1KMT2A | |
| SCHEMBL6396317 | 0.65 | ALDH1A1 (0.55) | RXRARXRBRARBRARAMEN1 |
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-6359135-B1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN SALES, INC. | 2002-03-19 | — | — | US | disclosed |