Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18562520 | 0.88 | MEN1 (0.33) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL18561144 | 0.88 | MEN1 (0.33) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL20618802 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL18562522 | 0.76 | CYP1A2 (0.36) | ALDH1A1CYP1A2 | |
| SCHEMBL18731711 | 0.73 | CYP1A2 (0.38) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL18786340 | 0.72 | GAA (0.39) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL18852236 | 0.72 | TNKS2 (0.38) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL16850477 | 0.72 | ALDH1A1 (0.37) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL18731724 | 0.71 | MAPT (0.40) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL18562526 | 0.71 | MEN1 (0.35) | KDM4EGAAMAPTKMT2ARXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017061810-A1 | DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2017-04-13 | — | — | WO | disclosed |
| WO-2017030283-A1 | ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-02-23 | — | — | WO | disclosed |