Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.51 |
| ▸ | ABAT | P80404 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 8/20 | 0.44 |
| ▸ | THRA | P10827 | 6/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14219064 | 0.91 | THRB (0.53) | ALDH5A1ABATTHRBTHRAMEN1 | |
| SCHEMBL14219183 | 0.88 | THRB (0.63) | THRBTHRAMEN1KMT2AMAPT | |
| SCHEMBL14219182 | 0.85 | GAA (0.42) | THRBTHRAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14219065 | 0.80 | THRB (0.40) | THRBTHRAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7648055 | 0.78 | LTA4H (0.46) | MEN1KMT2AESR1TSHRLMNA | |
| SCHEMBL13296350 | 0.77 | THRB (0.44) | THRBKMT2ATSHRCYP1A2CYP2C19 | |
| SCHEMBL1396022 | 0.76 | PKM (0.51) | KMT2ALMNAMAPTALDH1A1 | |
| SCHEMBL14218976 | 0.76 | THRB (0.42) | THRBTHRAMEN1KMT2ALMNA | |
| SCHEMBL12318121 | 0.75 | THRB (0.44) | THRBTHRAABCG2ESR1TSHR | |
| SCHEMBL14218996 | 0.75 | CYP2C9 (0.52) | THRBTHRAMEN1KMT2ALMNA |
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-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |