Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.58 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | PPID | Q08752 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Ethyl 3-Phenylpropanoate SCHEMBL304816 | 0.90 | TDP1 (0.75) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL7440447 | 0.88 | TDP1 (0.72) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| SCHEMBL717900 | 0.87 | TDP1 (0.56) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL28983325 | 0.85 | TDP1 (0.68) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL27762292 | 0.85 | TDP1 (0.68) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| SCHEMBL10646715 | 0.85 | TDP1 (0.54) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL311047 | 0.85 | TDP1 (0.68) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL3322728 | 0.85 | CYP4F2 (0.70) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| SCHEMBL6175000 | 0.84 | TDP1 (0.53) | TDP1CYP4F2CYP4A11ALOX5ABCB1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL8614481 | 0.83 | TDP1 (0.66) | TDP1CYP4F2CYP4A11ALOX5ABCB1 |
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-109678902-B | Organic catalyst with rigid spiro [ indan-1, 2' -pyrrolidine ] skeleton, ligand, synthesis and application | 北京师范大学 | 2020-05-15 | — | — | CN | disclosed |
| CN-109678902-A | One kind has the organic catalyst, ligand and synthesis and application of rigid spiral shell [indane -1,2 '-pyrrolidines] skeleton | 北京师范大学 | 2019-04-26 | — | — | CN | disclosed |