Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4820112 | 0.99 | CTSS (0.38) | GRM2CTSSCTSKMAPTGAA | |
| SCHEMBL8754404 | 0.99 | CTSS (0.38) | GRM2CTSSCTSKMAPTGAA | |
| SCHEMBL4578614 | 0.86 | GRM2 (0.42) | GRM2MAPTGAAMEN1KMT2A | |
| SCHEMBL4578608 | 0.86 | GRM2 (0.42) | GRM2MAPTGAAMEN1KMT2A | |
| SCHEMBL8754394 | 0.85 | ESR2 (0.41) | GRM2MAPTGAAMEN1KMT2A | |
| SCHEMBL4820116 | 0.85 | ESR2 (0.41) | GRM2MAPTGAAMEN1KMT2A | |
| SCHEMBL9618218 | 0.84 | KDM1A (0.40) | — | |
| SCHEMBL11106303 | 0.82 | PTPN11 (0.40) | S1PR3KDM4EALDH1A1HPGD | |
| SCHEMBL11106297 | 0.82 | PTPN11 (0.40) | S1PR3KDM4EALDH1A1HPGD | |
| SCHEMBL7783047 | 0.81 | CYP3A4 (0.40) | MAPTGAACYP3A4CYP2C8S1PR3 |
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-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |
| US-20050012070-A1 | Liquid-crystalline vinyl ketone derivatives and their polymers | JNC PETROCHEMICAL CORPORATION (JP) | 2005-01-20 | — | — | US | disclosed |