Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5182330 | 0.83 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TDP1KDM4ECYP3A4 | |
| Diethylaniline SCHEMBL30338071 | 0.82 | TSHR (0.48) | ALDH1A1L3MBTL1TDP1KDM4ECYP3A4 | |
| Benzene SCHEMBL28592113 | 0.80 | — | — | |
| Biphenyl SCHEMBL1360026 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP1A2CYP3A4ATM | |
| SCHEMBL7173236 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL29612790 | 0.74 | ALDH1A1 (0.30) | ALDH1A1 | |
| Benzenethiol SCHEMBL10321255 | 0.74 | GAA (0.32) | ALDH1A1 | |
| SCHEMBL9287964 | 0.74 | ALDH1A1 (0.30) | ALDH1A1 | |
| Aniline SCHEMBL341593 | 0.74 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL8734252 | 0.74 | ALDH1A1 (0.30) | ALDH1A1 |
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-111491942-B | Metal-ligand complex, catalyst composition, and method for producing same | 沙特基础工业爱思开NEXLENE私人有限公司 | 2024-01-12 | — | — | CN | disclosed |