Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 16/20 | 0.39 |
| ▸ | RARG | P13631 | 15/20 | 0.39 |
| ▸ | RARA | P10276 | 12/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.39 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 3/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329536 | 0.83 | RARB (0.57) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9331449 | 0.77 | RARB (0.55) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9330592 | 0.76 | CYP3A4 (0.44) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9006999 | 0.73 | RARB (0.49) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9488403 | 0.73 | RARB (0.43) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9328615 | 0.73 | RARA (0.35) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9329541 | 0.72 | RARA (0.32) | RARBRARGRARARXRA | |
| SCHEMBL5960214 | 0.72 | RARB (0.35) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL8772692 | 0.71 | RARB (0.45) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL8772593 | 0.71 | RARB (0.45) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162546-A | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-11-10 | — | — | US | disclosed |