Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GPR183 | P32249 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244075 | 0.82 | ALDH1A1 (0.73) | ALDH1A1KDM4ETNIKHPGDLMNA | |
| SCHEMBL3621186 | 0.81 | LMNA (0.62) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL1427500 | 0.81 | KMT2A (0.69) | ALDH1A1KDM4ETNIKHPGDLMNA | |
| SCHEMBL1239274 | 0.78 | HRH3 (0.74) | ALDH1A1KDM4ETNIKPOLBHRH3 | |
| SCHEMBL1241202 | 0.78 | ALDH1A1 (0.68) | ALDH1A1KDM4ETNIKMEN1KMT2A | |
| SCHEMBL22361100 | 0.78 | MEN1 (0.42) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL2518711 | 0.77 | HDAC1 (0.49) | ALDH1A1KDM4ELMNAPOLBMEN1 | |
| SCHEMBL578497 | 0.77 | LMNA (0.67) | ALDH1A1KDM4EHPGDLMNAPOLB | |
| Hydrochloric Acid SCHEMBL28582354 | 0.76 | HRH3 (0.71) | ALDH1A1KDM4ETNIKPOLBHRH3 | |
| SCHEMBL1241906 | 0.76 | HRH3 (0.78) | ALDH1A1KDM4ETNIKPOLBHRH3 |
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-105777756-B | Heteroaryl compound and its application in drug | 广东东阳光药业有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-105777756-A | Heteroaryl compound and application thereof in medicines | 广东东阳光药业有限公司 | 2016-07-20 | — | — | CN | disclosed |