Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | NQO1 | P15559 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18154540 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL2028247 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL26837593 | 0.74 | PLK1 (0.40) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL2522178 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL27594102 | 0.74 | MAOA (0.50) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL27687468 | 0.73 | NQO1 (0.53) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL10349945 | 0.73 | ALDH1A1 (0.49) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL27699860 | 0.73 | NPC1 (0.48) | ALDH1A1LMNANQO1TP53TSHR | |
| SCHEMBL10710132 | 0.72 | CA12 (0.49) | ALDH1A1LMNANQO1TP53TSHR | |
| Zinc Ion SCHEMBL29660558 | 0.72 | ALDH1A1 (0.48) | ALDH1A1LMNANQO1TP53TSHR |
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-108079294-B | Ferrocene-lanthanide metal compound and preparation method and application thereof | 南京工业大学 | 2020-10-02 | — | — | CN | disclosed |