Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | CDC25B | P30305 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 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 | |
|---|---|---|---|---|
| SCHEMBL12490002 | 0.82 | ALDH1A1 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL29362567 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRHPGDCDC25B | |
| SCHEMBL29365326 | 0.81 | NPY5R (0.45) | ALDH1A1HPGDTP53ALOX12KDM4E | |
| SCHEMBL29364943 | 0.78 | RAB9A (0.58) | ALDH1A1TDP1HPGDCDC25BTP53 | |
| SCHEMBL29208127 | 0.77 | ABCG2 (0.45) | CCR4MAPTRAB9A | |
| SCHEMBL971315 | 0.77 | KDM4E (0.41) | ALDH1A1HSD17B10TSHRHPGDALOX15 | |
| SCHEMBL6586906 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| Hydrochloric Acid SCHEMBL20542638 | 0.76 | KDM4E (0.40) | ALDH1A1HSD17B10TSHRHPGDALOX15 | |
| SCHEMBL286416 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL4079696 | 0.68 | CYP2A6 (0.42) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117616032-A | Rare earth complex | 东曹株式会社 | 2024-02-27 | — | — | CN | disclosed |