Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076850 | 1.00 | DHODH (0.43) | DHODHMAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL22076849 | 1.00 | DHODH (0.43) | DHODHMAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL29025833 | 0.89 | DHODH (0.54) | DHODHMAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL30137775 | 0.89 | DHODH (0.54) | DHODHMAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL5257128 | 0.81 | ALDH1A1 (0.51) | MAPTALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL5256773 | 0.81 | ALDH1A1 (0.51) | MAPTALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL5256780 | 0.81 | ALDH1A1 (0.51) | MAPTALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL5967543 | 0.79 | ALDH1A1 (0.41) | MAPTALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL28757979 | 0.79 | ALDH1A1 (0.45) | DHODHMAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL14854969 | 0.77 | ALDH1A1 (0.40) | MAPTALDH1A1SMN1; SMN2NPC1MAPK1 |
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-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |
| CN-109422755-A | A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2019-03-05 | — | — | CN | disclosed |