Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | DHODH | Q02127 | 6/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28619856 | 0.84 | ACHE (0.56) | DHODHHPGDCYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL28634603 | 0.84 | DHODH (0.54) | MAPK1DHODHHPGDPTGESSMN1; SMN2 | |
| SCHEMBL28623574 | 0.82 | DHODH (0.54) | DHODHALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL28626532 | 0.82 | DHODH (0.60) | MAPK1DHODHHPGDALDH1A1HSD17B10 | |
| SCHEMBL28626601 | 0.79 | KDM4E (0.64) | DHODHAURKAAURKBHPGDALDH1A1 | |
| SCHEMBL8956330 | 0.78 | MAPK1 (0.85) | MAPK1DHODHAURKAAURKBHPGD | |
| SCHEMBL10864591 | 0.78 | MAPK1 (0.65) | MAPK1DHODHAURKAAURKBHPGD | |
| SCHEMBL8410911 | 0.76 | MAPK1 (0.82) | MAPK1DHODHAURKAAURKBHPGD | |
| SCHEMBL10609537 | 0.75 | MAPK1 (0.61) | MAPK1DHODHAURKAAURKBHPGD | |
| SCHEMBL16098232 | 0.75 | MAPK1 (0.54) | MAPK1DHODHAURKAAURKBHPGD |
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-113277978-B | Preparation method of 2, 4-disubstituted quinoline compound | 河南师范大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-113277978-A | Preparation method of 2, 4-disubstituted quinoline compound | 河南师范大学 | 2021-08-20 | — | — | CN | disclosed |