Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31547005 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL7626922 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL1006462 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL1869642 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL31547036 | 0.83 | ALDH1A1 (0.46) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL2648204 | 0.83 | ALDH1A1 (0.46) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL6242702 | 0.77 | EPHX1 (0.46) | ALDH1A1TSHRKDM4EATMEPHX1 | |
| SCHEMBL21107395 | 0.77 | ALDH1A1 (0.48) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL16732291 | 0.77 | ALDH1A1 (0.48) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 | |
| SCHEMBL27406371 | 0.77 | ALDH1A1 (0.48) | ALDH1A1NPSR1TSHRKDM4EL3MBTL1 |
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-101475536-A | Polysubstituted S-DACO derivative, synthesizing method and use thereof | UNIV YUNNAN (CN) | 2009-07-08 | — | — | CN | disclosed |