Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.45 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15066645 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TDP1ADORA1S100A4PTPRC | |
| SCHEMBL9761836 | 0.83 | ALDH1A1 (0.76) | ALDH1A1TDP1S100A4PTPRCKMT2A | |
| SCHEMBL15089700 | 0.79 | S100A4 (0.47) | ALDH1A1TDP1S100A4MAPTMAPK1 | |
| SCHEMBL17177867 | 0.77 | ALDH1A1 (0.85) | ALDH1A1TDP1S100A4PTPRCMAPK1 | |
| SCHEMBL16672317 | 0.77 | ALDH1A1 (0.78) | ALDH1A1TDP1S100A4PTPRCKMT2A | |
| SCHEMBL30196067 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1S100A4PTPRCKMT2A | |
| Benzene SCHEMBL28038982 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1S100A4PTPRCKMT2A | |
| SCHEMBL44392 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1S100A4PTPRCKMT2A | |
| SCHEMBL6067832 | 0.75 | ALDH1A1 (0.63) | ALDH1A1TDP1S100A4PTPRCMAPT | |
| SCHEMBL18419172 | 0.75 | ALDH1A1 (0.75) | ALDH1A1TDP1S100A4PTPRCMAPK1 |
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-2013100507-A1 | NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME | 주식회사 두산 (KR) | 2013-07-04 | — | — | WO | disclosed |
| WO-2013100507-A1 | NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME | 주식회사 두산 (KR) | 2013-07-04 | — | — | WO | disclosed |