Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 5/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17955086 | 0.96 | ALDH1A1 (0.41) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| SCHEMBL17955083 | 0.92 | ALDH1A1 (0.44) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| SCHEMBL17950272 | 0.83 | CDC25B (0.47) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| SCHEMBL17955198 | 0.81 | LTB4R2 (0.49) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| SCHEMBL301948 | 0.81 | ALDH1A1 (0.58) | ALDH1A1AKR1C3CDC25BATMMYC | |
| SCHEMBL17950659 | 0.79 | ALDH1A1 (0.49) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| Water SCHEMBL9731251 | 0.79 | ALDH1A1 (0.56) | ALDH1A1AKR1C3CDC25BATMMYC | |
| SCHEMBL21808781 | 0.77 | AKR1C3 (0.53) | ALDH1A1AKR1C3CDC25BATMGAA | |
| SCHEMBL17950663 | 0.77 | LTB4R2 (0.46) | ALDH1A1LTB4R2AKR1C3CDC25BATM | |
| SCHEMBL17950260 | 0.77 | LTB4R2 (0.46) | ALDH1A1LTB4R2AKR1C3CDC25BATM |
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-2016116486-A1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS | CYNORA GMBH (DE) | 2016-07-28 | — | — | WO | disclosed |