Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818860 | 0.90 | CYP11B1 (0.43) | ALDH1A1POLBTDP1LIPECES2 | |
| SCHEMBL9818892 | 0.90 | CYP11B1 (0.43) | ALDH1A1POLBTDP1LIPECES2 | |
| SCHEMBL9819226 | 0.87 | RAPGEF3 (0.48) | TDP1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9818889 | 0.82 | GSK3B (0.45) | ALDH1A1SMN1; SMN2LMNACES2CES1 | |
| SCHEMBL8201118 | 0.79 | CHRNB2 (0.39) | ALDH1A1POLBTDP1CHRNB2CHRNB4 | |
| SCHEMBL9818875 | 0.77 | MLYCD (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL24339824 | 0.72 | MLYCD (0.56) | ALDH1A1POLBTDP1CHRNB2CHRNB4 | |
| SCHEMBL6829929 | 0.72 | L3MBTL1 (0.41) | ALDH1A1TDP1MAPTL3MBTL1NPC1 | |
| SCHEMBL1143569 | 0.71 | CES2 (0.45) | ALDH1A1MAPTL3MBTL1NPC1TRPA1 | |
| SCHEMBL6831516 | 0.70 | CA1 (0.50) | ALDH1A1MAPTL3MBTL1NPC1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |