Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9905199 | 0.80 | ALDH1A1 (0.49) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL2020140 | 0.78 | ABL1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28039420 | 0.76 | CHRM1 (0.45) | ALDH1A1KMT2AL3MBTL1MAPTADORA2A | |
| SCHEMBL28039405 | 0.76 | QPCT (0.51) | KDM4ENPSR1MAPK1MAPTHPGD | |
| SCHEMBL28039342 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2AL3MBTL1CYP2C9 | |
| SCHEMBL5213566 | 0.75 | HSP90AA1 (0.62) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL5106000 | 0.75 | ALDH1A1 (0.64) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL13211663 | 0.75 | ABL1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3455245 | 0.75 | ABL1 (0.60) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL967992 | 0.74 | BRD4 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-105017312-A | Preparation method of beta-aminoethyl phosphono derivative | UNIV SOOCHOW | 2015-11-04 | — | — | CN | disclosed |