Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL221221 | 0.80 | PDK1 (0.42) | CYP2A6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL30385626 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL3613457 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16826037 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30385344 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28277835 | 0.71 | ADORA2A (0.46) | CYP3A4KDM4E | |
| SCHEMBL12258295 | 0.71 | CYP2A6 (0.59) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL13910994 | 0.71 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9137297 | 0.70 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL18104257 | 0.70 | CYP2A6 (0.68) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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-105992767-B | WNT pathway modulators | 新加坡科技研究局 | 2019-06-21 | — | — | CN | disclosed |
| CN-106061974-B | Maleimide derivatives as the conditioning agent of WNT approach | 新加坡科技研究局 | 2018-04-20 | — | — | CN | disclosed |