Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30137775 | 1.00 | DHODH (0.54) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL22076850 | 0.89 | DHODH (0.43) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL22076849 | 0.89 | DHODH (0.43) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL29025829 | 0.89 | DHODH (0.43) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL4964597 | 0.88 | DHODH (0.57) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL18933453 | 0.87 | DHODH (0.56) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL15223400 | 0.86 | ALDH1A1 (0.56) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL4960852 | 0.83 | ALDH1A1 (0.53) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL14864885 | 0.82 | DHODH (0.46) | DHODHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL16522194 | 0.81 | ALDH1A1 (0.59) | DHODHALDH1A1KDM4ETDP1MAPT |
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 |