Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CCNH | P51946 | 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 | |
|---|---|---|---|---|
| SCHEMBL10259424 | 0.82 | ALDH1A1 (0.52) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL12138089 | 0.79 | TNK2 (0.45) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| Karanjonol SCHEMBL21828762 | 0.78 | KDM4E (0.71) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| Karanjin SCHEMBL7164819 | 0.75 | KDM4E (1.00) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| Karanjin SCHEMBL247164 | 0.75 | KDM4E (1.00) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL17426161 | 0.74 | KDM4E (0.50) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL19668432 | 0.71 | ALDH1A1 (0.41) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL31692090 | 0.71 | ALDH1A1 (0.41) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| Lanceolatin B SCHEMBL1161113 | 0.71 | CYP1B1 (1.00) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL27292064 | 0.71 | PLA2G2A (0.42) | CYP1A1CYP1B1ALDH1A1HSD17B10KDM4E |
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-2023202377-A1 | DEUTERATED COMPOSITION, ORGANIC ELECTROLUMINESCENT DEVICE, AND DISPLAY APPARATUS | 阜阳欣奕华材料科技有限公司 | 2023-10-26 | — | — | WO | claimed |