Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL15450402 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDRXFP1CACNA1DP2RX7 | |
| SCHEMBL19061792 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HPGDRXFP1CACNA1DP2RX7 | |
| SCHEMBL20618802 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDRXFP1CACNA1DP2RX7 | |
| SCHEMBL16864140 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HPGDRXFP1CACNA1DKDM4E | |
| SCHEMBL16688050 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HPGDRXFP1P2RX7KDM4E | |
| SCHEMBL18960789 | 0.70 | HPGD (0.38) | ALDH1A1HPGDRXFP1CACNA1DGAA | |
| SCHEMBL15034681 | 0.70 | KDM4E (0.36) | ALDH1A1HPGDRXFP1KDM4EKMT2A | |
| SCHEMBL18373127 | 0.70 | NPC1 (0.36) | ALDH1A1HPGDRXFP1GAAMAPT | |
| SCHEMBL18544699 | 0.68 | ALDH1A1 (0.34) | ALDH1A1HPGDRXFP1CACNA1DP2RX7 | |
| SCHEMBL17033547 | 0.67 | MEN1 (0.36) | ALDH1A1HPGDGAAMAPTKMT2A |
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-2017061810-A1 | DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2017-04-13 | — | — | WO | disclosed |