Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.68 |
| ▸ | GSK3B | P49841 | 2/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 1/20 | 0.67 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.57 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.57 |
| ▸ | FEN1 | P39748 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL9442427 | 0.92 | ALDH1A1 (0.59) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| SCHEMBL1977011 | 0.86 | KMT2A (0.80) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| SCHEMBL10888944 | 0.84 | KMT2A (0.76) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| Phenacyl Chloride SCHEMBL2314766 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| Phenacyl Chloride SCHEMBL55444 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| Dibenzoylmethane SCHEMBL1704711 | 0.81 | MEN1 (1.00) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| Dibenzoylmethane SCHEMBL39582 | 0.81 | MEN1 (1.00) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| Dibenzoylmethane SCHEMBL10356288 | 0.81 | MEN1 (1.00) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| SCHEMBL3071016 | 0.81 | KMT2A (0.64) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 | |
| SCHEMBL6120813 | 0.80 | KMT2A (0.70) | ALDH1A1MAPK1HIF1AGSK3BTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |
| US-3946057-A | ALKYLENE OXIDE, METAL HALIDE, POLAR SOLVENT | UNION CARBIDE CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |