Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TACR3 | P29371 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14595547 | 0.78 | LMNA (0.56) | CES2CES1TDP1L3MBTL1S1PR3 | |
| SCHEMBL14595548 | 0.77 | NPC1 (0.63) | TDP1S1PR3S1PR4ALDH1A1CTRB1 | |
| SCHEMBL28270641 | 0.75 | ALDH1A1 (0.58) | TDP1L3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13052942 | 0.73 | TDP1 (0.55) | CES2CES1TDP1L3MBTL1S1PR3 | |
| SCHEMBL28457962 | 0.73 | TDP1 (0.55) | CES2CES1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL28270695 | 0.73 | ALDH1A1 (0.49) | ANPEPTDP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2511292 | 0.71 | CES2 (0.65) | CES2CES1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL7045241 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4LMNAMEN1 | |
| SCHEMBL22924537 | 0.71 | CES2 (0.53) | ANPEPCES2CES1ALDH1A1LMNA | |
| SCHEMBL77141 | 0.71 | TDP1 (0.52) | CES2CES1TDP1L3MBTL1ALDH1A1 |
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-109096138-A | A method of synthesis α-amido ketone derivatives | 郑州轻工业学院 | 2018-12-28 | — | — | CN | disclosed |