Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HNF4A | P41235 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28231912 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 | |
| Formic Acid SCHEMBL27623694 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 | |
| Formic Acid SCHEMBL27974179 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 | |
| Formic Acid SCHEMBL27358387 | 0.85 | HNF4A (0.48) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 | |
| Biphenyl SCHEMBL2693002 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10BCL2L1CYP2A6MAPK1 | |
| Biphenyl SCHEMBL30883064 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10BCL2L1CYP2A6MAPK1 | |
| Biphenyl SCHEMBL27698139 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10BCL2L1CYP2A6MAPK1 | |
| Biphenyl SCHEMBL4299571 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10BCL2L1CYP2A6MAPK1 | |
| Biphenyl SCHEMBL314914 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HSD17B10BCL2L1CYP2A6MAPK1 | |
| Formic Acid SCHEMBL28667263 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HPGDBCL2L1HDAC4 |
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-109796325-A | A kind of preparation method of anidulafungin intermediate | 南京天越星生物技术有限公司 | 2019-05-24 | — | — | CN | claimed |
| CN-109796325-A | A kind of preparation method of anidulafungin intermediate | 南京天越星生物技术有限公司 | 2019-05-24 | — | — | CN | disclosed |