Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 19/20 | 0.45 |
| ▸ | RARG | P13631 | 19/20 | 0.45 |
| ▸ | RARA | P10276 | 16/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.45 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7142149 | 0.96 | RARB (0.48) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7136046 | 0.94 | RARB (0.50) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7701225 | 0.92 | RARB (0.41) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7140735 | 0.85 | RARB (0.40) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7136227 | 0.81 | RARA (0.48) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7139166 | 0.81 | RARA (0.48) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7706434 | 0.78 | RARB (0.41) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7140796 | 0.77 | RARB (0.48) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL7144498 | 0.75 | RARB (0.50) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9007043 | 0.74 | RARB (0.67) | RARBRARGRARACYP3A4CYP26A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212316-A2 | BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-12 | — | — | EP | claimed |
| WO-2001014360-A2 | BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS | F. HOFFMAN-LA ROCHE AG (CH) | 2001-03-01 | — | — | WO | claimed |