Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | TACR3 | P29371 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172158 | 0.84 | FPR2 (0.47) | LMNAALDH1A1TACR1TACR3HDAC4 | |
| SCHEMBL3172172 | 0.84 | FPR2 (0.47) | LMNAALDH1A1TACR1TACR3HDAC4 | |
| SCHEMBL4531134 | 0.84 | FPR2 (0.47) | LMNAALDH1A1TACR1TACR3HDAC4 | |
| SCHEMBL10166988 | 0.81 | TACR3 (0.43) | LMNAALDH1A1CYP3A4TACR1TACR3 | |
| SCHEMBL13052942 | 0.80 | TDP1 (0.55) | TDP1L3MBTL1LMNACES1CES2 | |
| SCHEMBL28457962 | 0.80 | TDP1 (0.55) | TDP1L3MBTL1LMNACES1CES2 | |
| SCHEMBL14595547 | 0.79 | LMNA (0.56) | TDP1L3MBTL1LMNACES1CES2 | |
| SCHEMBL8607503 | 0.79 | KMT2A (0.51) | LMNAALDH1A1CYP3A4TACR3 | |
| SCHEMBL9994314 | 0.78 | CES1 (0.46) | TDP1L3MBTL1LMNACES1CES2 | |
| SCHEMBL77141 | 0.77 | TDP1 (0.52) | TDP1L3MBTL1LMNACES1CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096138-B | Method for synthesizing alpha-aminoketone derivative | 郑州轻工业学院 | 2020-12-18 | — | — | CN | disclosed |
| CN-109096138-A | A method of synthesis α-amido ketone derivatives | 郑州轻工业学院 | 2018-12-28 | — | — | CN | disclosed |