Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | HNF4A | P41235 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824743 | 0.96 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL5419249 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Diphenylamine SCHEMBL28068924 | 0.86 | HSD17B10 (0.39) | ALDH1A1HSD17B10HPGDMAPK1KDM4E | |
| SCHEMBL28002432 | 0.86 | ALDH1A1 (0.39) | ALDH1A1MAPK1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1900260 | 0.86 | HTR7 (0.38) | ALDH1A1MAPK1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL29127434 | 0.86 | KDM1A (0.39) | ALDH1A1HSD17B10HPGDMAPK1CYP1A2 | |
| SCHEMBL30332550 | 0.85 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL8366035 | 0.84 | HTR7 (0.38) | ALDH1A1HPGDMAPK1CYP2C19TDP1 | |
| SCHEMBL1551517 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HPGDBCL2L1CYP3A4 | |
| SCHEMBL3877945 | 0.84 | HTR7 (0.39) | ALDH1A1HPGDMAPTL3MBTL1PDCD1 |
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-2022244864-A1 | MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD | 出光興産株式会社 | 2022-11-24 | — | — | WO | disclosed |