Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CDC42 | P60953 | 1/20 | 0.56 |
| ▸ | RAC1 | P63000 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9009741 | 1.00 | ABCB11 (0.72) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL11998984 | 0.87 | ABCB11 (0.56) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL9167387 | 0.86 | ALDH1A1 (0.53) | ABCB11AKR1C3AKR1C2AKR1C1TSHR | |
| SCHEMBL9630941 | 0.86 | ABCB11 (0.68) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| Naproxol SCHEMBL10395753 | 0.84 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| Naproxol SCHEMBL30599771 | 0.84 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| Naproxol SCHEMBL29979997 | 0.84 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL13803017 | 0.84 | ABCB11 (0.70) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL8474842 | 0.84 | ABCB11 (0.70) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 | |
| Naproxol SCHEMBL43203 | 0.84 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1AKR1C1 |
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-110655456-B | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-110655456-A | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-01-07 | — | — | CN | disclosed |