Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 4/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866201 | 0.80 | HDAC3 (0.39) | HSD17B1PGRRARBRARG | |
| SCHEMBL9023693 | 0.79 | NPC1 (0.36) | RARARARBRARGKDM4EALDH1A1 | |
| SCHEMBL8671302 | 0.76 | PGR (0.38) | HSD17B1PGRRARARARBRARG | |
| SCHEMBL9024438 | 0.75 | RARA (0.38) | PGRRARARARBRARGKDM4E | |
| SCHEMBL9024949 | 0.75 | NPC1 (0.45) | RARARARBRARGKDM4EALDH1A1 | |
| SCHEMBL8668855 | 0.74 | RXRA (0.34) | HSD17B1PGRRARARARBRARG | |
| SCHEMBL9425658 | 0.72 | HSD17B1 (0.43) | HSD17B1 | |
| SCHEMBL9116297 | 0.71 | JAK2 (0.36) | KDM4EALDH1A1HPGD | |
| SCHEMBL8564690 | 0.71 | RARA (0.43) | RARARARBRARGKDM4EALDH1A1 | |
| SCHEMBL9089192 | 0.70 | PGR (0.32) | HSD17B1PGRRARARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995018803-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1995-07-13 | — | — | WO | disclosed |