Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | PTGES | O14684 | 1/20 | 0.65 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | CASP7 | P55210 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | DHODH | Q02127 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11668861 | 1.00 | ALDH1A1 (0.65) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL16832263 | 0.89 | PTGES (0.60) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL28071570 | 0.89 | ALDH1A1 (0.52) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL15129999 | 0.88 | ALDH1A1 (0.51) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL28131095 | 0.85 | PLA2G2A (0.62) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL28100420 | 0.85 | PLA2G2A (0.58) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL22468804 | 0.84 | ALDH1A1 (0.67) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL7399715 | 0.83 | ALDH1A1 (0.65) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL1305232 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PTGESALOX5CYP2C9HPGD | |
| SCHEMBL24840868 | 0.81 | DHODH (0.65) | ALDH1A1PTGESALOX5CYP2C9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-111943957-B | Quinoline formamide compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-01-06 | — | — | CN | disclosed |