Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147991 | 0.96 | CYP2D6 (0.48) | CYP2D6ALDH1A1L3MBTL1POLBTSHR | |
| SCHEMBL27878049 | 0.89 | TSHR (0.42) | CYP2D6ALDH1A1L3MBTL1POLBTSHR | |
| SCHEMBL27622694 | 0.87 | CYP2D6 (0.41) | CYP2D6ALDH1A1L3MBTL1POLBTSHR | |
| SCHEMBL28180205 | 0.84 | CYP2D6 (0.46) | CYP2D6ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL19690588 | 0.82 | CYP2D6 (0.49) | CYP2D6ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL29036101 | 0.75 | CYP2D6 (0.50) | CYP2D6ALDH1A1L3MBTL1TSHRALOX15 | |
| SCHEMBL27532523 | 0.75 | CYP2D6 (0.56) | CYP2D6ALDH1A1L3MBTL1TSHRALOX15 | |
| SCHEMBL27791143 | 0.74 | CYP2D6 (0.52) | CYP2D6ALDH1A1L3MBTL1TSHRALOX15 | |
| SCHEMBL28014441 | 0.73 | LMNA (0.42) | ALDH1A1L3MBTL1POLBTSHRALOX5 | |
| SCHEMBL27813428 | 0.73 | CYP2D6 (0.51) | CYP2D6ALDH1A1L3MBTL1TSHRALOX15 |
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-106608841-A | Preparation method for 2-cyano-2, 3-dialkyl succinic acid dialkyl ester compound | 中国石油化工股份有限公司 | 2017-05-03 | — | — | CN | disclosed |