Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 5/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17349450 | 0.94 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL17349257 | 0.94 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL17348642 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL18958704 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL18958692 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL17349381 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL21007778 | 0.93 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL21007777 | 0.93 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL17124118 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP2C19KDM4EATM | |
| SCHEMBL26082285 | 0.92 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C19KDM4EATM |
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-2019179497-A1 | ORGANIC COMPOUND WITH PYRIDINE AS CORE AND USE THEREOF | 江苏三月光电科技有限公司 | 2019-09-26 | — | — | WO | disclosed |