Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12567890 | 0.96 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL17279838 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL5218883 | 0.83 | PDPK1 (0.45) | KDRMAPK1 | |
| SCHEMBL12567877 | 0.83 | KDM4E (0.56) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL8008699 | 0.80 | KMT2A (0.50) | KDM4ESMN1; SMN2ALPLMAPK10HTT | |
| SCHEMBL17055639 | 0.79 | PDE4A (0.48) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL31468338 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL17279836 | 0.76 | GRM5 (0.48) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 | |
| SCHEMBL7820094 | 0.75 | CHEK1 (0.49) | MAPK1 | |
| SCHEMBL11242632 | 0.75 | KDM4E (0.50) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 |
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-2018038401-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME | 주식회사 두산 | 2018-03-01 | — | — | WO | disclosed |