Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28019981 | 1.00 | CYP2C9 (0.50) | CYP2C9KMT2ATP53ALDH1A1CYP1A2 | |
| SCHEMBL28020416 | 0.83 | PPID (0.50) | CYP2C9KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28020411 | 0.83 | PPID (0.50) | CYP2C9KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28020076 | 0.82 | KMT2A (0.48) | KMT2ATP53ALDH1A1CYP2D6TSHR | |
| SCHEMBL28020432 | 0.82 | LMNA (0.45) | KMT2ATP53ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28020429 | 0.82 | LMNA (0.45) | KMT2ATP53ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28020080 | 0.82 | KMT2A (0.48) | KMT2ATP53ALDH1A1CYP2D6TSHR | |
| SCHEMBL28820145 | 0.80 | KMT2A (0.46) | KMT2AALDH1A1CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL28820146 | 0.80 | KMT2A (0.46) | KMT2AALDH1A1CYP2D6HPGDSMN1; SMN2 | |
| SCHEMBL1305449 | 0.78 | ALDH1A1 (0.58) | CYP2C9KMT2ATP53ALDH1A1CYP1A2 |
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-103910644-B | Beta-enaminone ester compounds, and synthesis method and application of beta-enaminone ester compounds | UNIV GUANGXI NORMAL | 2015-06-24 | — | — | CN | disclosed |