Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446174 | 0.98 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL15153014 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Phosphine SCHEMBL27074301 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL27324354 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Tetramethylammonium Ion SCHEMBL27680774 | 0.93 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL8467900 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL8811742 | 0.86 | FDPS (0.32) | ALDH1A1FDPS | |
| SCHEMBL29225458 | 0.86 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL8469077 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL9231485 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 |
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-1037729-A | A kind of benzene hydrogenating homogeneous catalyst | LIAOYANG PETRO CHEMICAL FIBRE (CN) | 1989-12-06 | — | — | CN | disclosed |