Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.66 |
| ▸ | THRA | P10827 | 6/20 | 0.60 |
| ▸ | THRB | P10828 | 6/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PLA2G4B | P0C869 | 5/20 | 0.57 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11132534 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11135763 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11138632 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11333228 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11135924 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11138594 | 1.00 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11138654 | 0.99 | RARB (0.63) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11135332 | 0.96 | MMP1 (0.59) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11132526 | 0.95 | RARB (0.66) | RARBTHRATHRBTP53TSHR | |
| SCHEMBL11135245 | 0.95 | RARB (0.66) | RARBTHRATHRBTP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4382012-A | Liquid crystalline diketones | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1983-05-03 | — | — | US | disclosed |
| US-4297515-A | Diketones useful as liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-10-27 | — | — | US | disclosed |