Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | USP1 | O94782 | 9/20 | 0.45 |
| ▸ | WDR48 | Q8TAF3 | 9/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17598655 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL17598616 | 0.93 | TNF (0.51) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL17829307 | 0.91 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL17829293 | 0.90 | TNF (0.54) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL23590362 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL25682325 | 0.88 | TNF (0.53) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL25682317 | 0.88 | CYP11B1 (0.54) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL23590363 | 0.87 | MAPT (0.50) | ALDH1A1TSHRMAPTPOLBMEN1 | |
| SCHEMBL21131831 | 0.87 | CYP11B1 (0.56) | ALDH1A1TSHRMAPTPOLBCYP1A2 | |
| SCHEMBL23590369 | 0.87 | TSHR (0.45) | ALDH1A1TSHRMAPTPOLBMEN1 |
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-2021131657-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2021-07-01 | — | — | WO | disclosed |