Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GOT1 | P17174 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15721355 | 0.81 | ALDH1A1 (0.78) | KDM4EALDH1A1MAPTTDP1ADORA3 | |
| SCHEMBL221530 | 0.79 | KDM4E (1.00) | KDM4EALDH1A1MAPTTDP1ADORA3 | |
| SCHEMBL31416835 | 0.79 | KDM4E (1.00) | KDM4EALDH1A1MAPTTDP1ADORA3 | |
| SCHEMBL25861219 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPTTDP1ADORA3MAOA | |
| SCHEMBL18454567 | 0.75 | GOT1 (0.66) | KDM4EALDH1A1MAPTTDP1ADORA3 | |
| SCHEMBL2578812 | 0.71 | KDM4E (0.71) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL30451373 | 0.71 | KDM4E (0.71) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL26458882 | 0.68 | ALDH1A1 (1.00) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| Dihydralazine SCHEMBL29484435 | 0.67 | ALDH1A1 (1.00) | KDM4EALDH1A1MAPTTDP1ADORA3 | |
| Dihydralazine SCHEMBL149629 | 0.67 | ALDH1A1 (1.00) | KDM4EALDH1A1MAPTTDP1ADORA3 |
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-2023066377-A1 | NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 索智生物科技（浙江）有限公司 | 2023-04-27 | — | — | WO | disclosed |