Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28488913 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6871220 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11339705 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL10602301 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL27438885 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28514814 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11201788 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPK1TDP1LMNA | |
| SCHEMBL11201789 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPK1TDP1LMNA | |
| SCHEMBL861851 | 0.77 | POLB (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL861853 | 0.77 | POLB (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107383251-B | Catalyst system for catalyzing polymerization of polar conjugated olefin | 苏州大学 | 2021-01-29 | — | — | CN | disclosed |