Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7052032 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL29612651 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL10409987 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL28563878 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL7531782 | 0.77 | ALDH1A1 (0.44) | CYP1A2CYP2A6ALDH1A1HPGDLMNA | |
| SCHEMBL17917218 | 0.77 | ALDH1A1 (0.39) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL1372825 | 0.74 | ESR1 (0.34) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL17332327 | 0.74 | ALDH1A1 (0.32) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL31557593 | 0.73 | KIF11 (0.47) | CYP1A2CYP2A6ALDH1A1KDM4ELMNA | |
| SCHEMBL27937445 | 0.73 | KIF11 (0.47) | CYP1A2CYP2A6ALDH1A1KDM4ELMNA |
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-2020248943-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2020-12-17 | — | — | WO | disclosed |