Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28352941 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2BRD4GLA | |
| SCHEMBL28346751 | 0.76 | ALDH1A1 (0.60) | ALDH1A1KDM4ESMN1; SMN2BRD4GLA | |
| SCHEMBL1382313 | 0.75 | HK2 (0.37) | ALDH1A1KDM4ESMN1; SMN2BRD4GLA | |
| SCHEMBL1382934 | 0.75 | KDM4E (0.42) | ALDH1A1KDM4ESMN1; SMN2BRD4GLA | |
| SCHEMBL25222726 | 0.75 | MAPK14 (0.50) | — | |
| SCHEMBL1363953 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2GAAHPGD | |
| SCHEMBL12872136 | 0.74 | ADORA1 (0.45) | ALDH1A1KDM4ESMN1; SMN2GAAGRIA4 | |
| SCHEMBL28882198 | 0.73 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2BRD4GLA | |
| SCHEMBL1779746 | 0.72 | KDM4E (0.47) | ALDH1A1KDM4ESMN1; SMN2GLAGAA | |
| SCHEMBL1185054 | 0.71 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2GLAGAA |
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-110713451-B | Microwave radiation-assisted synthesis method of N-methyl-2-cyano-3, 4-disubstituted pyrrole compound | 湖南科技学院 | 2021-04-23 | — | — | CN | disclosed |
| CN-110713451-A | Microwave radiation-assisted synthesis method of N-methyl-2-cyano-3, 4-disubstituted pyrrole compound | 湖南科技学院 | 2020-01-21 | — | — | CN | disclosed |