Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28545730 | 1.00 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL10537550 | 0.77 | NPC1 (0.45) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL2777077 | 0.76 | NPC1 (0.48) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL2777080 | 0.76 | NPC1 (0.48) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL758450 | 0.74 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL15282603 | 0.74 | DAO (0.39) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL15282602 | 0.74 | DAO (0.39) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL15294850 | 0.73 | ALDH1A1 (0.34) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL12262035 | 0.70 | RAB9A (0.40) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL11253189 | 0.70 | MEN1 (0.58) | ALDH1A1NPC1RAB9AMEN1POLB |
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-112645895-B | Isoxazoline derivative with olefin side chain and synthesis method thereof | 浙江工业大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-112645895-A | Isoxazoline derivative with olefin side chain and synthesis method thereof | 浙江工业大学 | 2021-04-13 | — | — | CN | disclosed |