Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28532993 | 1.00 | CA1 (0.41) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28526464 | 0.89 | CA1 (0.41) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28534753 | 0.89 | CA1 (0.41) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28055447 | 0.84 | CA1 (0.42) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28055448 | 0.84 | CA1 (0.42) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28600049 | 0.83 | CA1 (0.41) | CA1CA2CA7CA9LMNA | |
| SCHEMBL21954409 | 0.83 | SMN1; SMN2 (0.47) | CA1CA2CA7CA9CA4 | |
| SCHEMBL28596778 | 0.83 | SMN1; SMN2 (0.38) | BACE1SMN1; SMN2PARP1PARP10TGM2 | |
| SCHEMBL28608472 | 0.83 | SMN1; SMN2 (0.50) | CA1CA2CA7CA9CA4 | |
| SCHEMBL12083344 | 0.81 | BACE1 (0.40) | TDP1L3MBTL1LMNABACE1SMN1; SMN2 |
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-108821976-B | Method for catalytic oxidation of indanone-2-formate under micro-reaction condition or conventional reaction condition | 吉林大学 | 2021-07-13 | — | — | CN | disclosed |
| CN-108516937-B | Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst | 大连理工大学 | 2021-03-26 | — | — | CN | disclosed |