Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16665582 | 0.78 | PLOD2 (0.45) | CES2CES1CA1CA2RAB9A | |
| SCHEMBL4516554 | 0.76 | CES2 (0.42) | LMNAALOX15CES2CES1CA1 | |
| SCHEMBL10247238 | 0.76 | ALDH1A1 (0.46) | LMNACES2CES1SRD5A2ATM | |
| SCHEMBL28331909 | 0.76 | CES2 (0.54) | TSHRCES2CES1SRD5A2GSK3B | |
| SCHEMBL29723909 | 0.76 | HTT (0.45) | LMNANPSR1ALDH1A1CNR1CNR2 | |
| SCHEMBL12611445 | 0.73 | CES2 (0.50) | LMNATSHRALOX15CES2CES1 | |
| SCHEMBL24684593 | 0.73 | ESR1 (0.52) | CES2CES1SRD5A2GSK3B | |
| SCHEMBL26325162 | 0.73 | HDAC6 (0.31) | CA2 | |
| SCHEMBL978677 | 0.71 | CES1 (0.60) | LMNATSHRALOX15CES2CES1 | |
| SCHEMBL20973221 | 0.71 | CES2 (0.42) | LMNATSHRALOX15CES2CES1 |
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-110437230-B | Tertiary amine compound, diphosphine ligand, intermediate and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | disclosed |