Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | RORA | P35398 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
| ▸ | CTRC | Q99895 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL13345062 | 0.96 | CYP1A2 (0.32) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL12796197 | 0.93 | HDAC4 (0.35) | CYP1A2CYP2C9TSHRIKBKBHDAC4 | |
| SCHEMBL12796251 | 0.92 | ESR1 (0.36) | CYP1A2CYP2C9TSHRIKBKBHDAC4 | |
| SCHEMBL13303890 | 0.91 | CYP1A2 (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL12796224 | 0.91 | HDAC4 (0.34) | CYP1A2CYP2C9TSHRIKBKBHDAC4 | |
| SCHEMBL12796244 | 0.91 | HDAC4 (0.35) | CYP1A2CYP3A4CYP2C9TSHRIKBKB | |
| SCHEMBL12796274 | 0.90 | ESR1 (0.35) | CYP1A2CYP3A4CYP2C9TSHRIKBKB | |
| SCHEMBL12796213 | 0.90 | ESR1 (0.35) | CYP1A2CYP3A4CYP2C9TSHRIKBKB | |
| SCHEMBL13344663 | 0.88 | HDAC4 (0.34) | CYP1A2CYP2C9TSHRIKBKBHDAC4 | |
| SCHEMBL13304051 | 0.88 | HDAC4 (0.37) | CYP1A2CYP3A4CYP2C9TSHRIKBKB |
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-2010064871-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | GRACEL DISPLAY INC. (KR) | 2010-06-10 | — | — | WO | disclosed |