Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18548025 | 0.91 | DGAT2 (0.40) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL30159713 | 0.88 | DGAT2 (0.46) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL23535808 | 0.88 | DGAT2 (0.46) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL18816227 | 0.87 | DGAT2 (0.45) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL23535700 | 0.87 | DGAT2 (0.42) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL31522407 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HPGDNPC1RAB9ACNR1 | |
| SCHEMBL31632983 | 0.83 | AXL (0.42) | ALDH1A1HPGDNPC1RAB9ACNR1 | |
| SCHEMBL10324149 | 0.81 | DGAT2 (0.40) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL30159592 | 0.81 | DGAT2 (0.40) | DGAT2ALDH1A1MAPK1HPGDNPC1 | |
| SCHEMBL9904651 | 0.80 | ALDH1A1 (0.41) | DGAT2ALDH1A1MAPK1HPGDNPC1 |
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-110452235-B | Fluorine-containing isoxazole compound and preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-02-17 | — | — | CN | disclosed |