Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27714041 | 0.88 | CES1 (0.52) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL29029684 | 0.84 | CES1 (0.48) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL28304897 | 0.81 | CTNNB1 (0.51) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL29035571 | 0.78 | CES1 (0.44) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL29029673 | 0.77 | PIN1 (0.50) | CES1MAPTTSHRPOLBRECQL | |
| SCHEMBL9631851 | 0.76 | CES1 (0.48) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL28167005 | 0.76 | CES1 (0.48) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL8459655 | 0.75 | CTNNB1 (0.61) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL5031584 | 0.75 | CES1 (0.52) | CES1MAPTCYP2C19CYP3A4TDP1 | |
| SCHEMBL9076470 | 0.74 | CES1 (0.47) | CES1MAPTCYP2C19CYP3A4TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116219085-B | Synthetic tanning agent containing multifunctional structure and preparation method and application thereof | 南京工业大学 | 2024-03-15 | — | — | CN | disclosed |
| CN-116219085-A | Synthetic tanning agent containing multifunctional structure and preparation method and application thereof | 南京工业大学 | 2023-06-06 | — | — | CN | disclosed |