Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | DAO | P14920 | 2/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP2 | P42575 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31026300 | 1.00 | CES1 (0.47) | CES1DAODNMT1NSD2BCHE | |
| SCHEMBL31026294 | 1.00 | CES1 (0.47) | CES1DAODNMT1NSD2BCHE | |
| SCHEMBL458053 | 1.00 | CES1 (0.47) | CES1DAODNMT1NSD2BCHE | |
| SCHEMBL3200379 | 0.78 | ALDH1A1 (0.40) | DNMT1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL6317220 | 0.78 | ALDH1A1 (0.40) | DNMT1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL31531054 | 0.77 | CES1 (0.51) | CES1DAONSD2BCHECASP3 | |
| SCHEMBL21792472 | 0.75 | SIRT2 (0.37) | DAODNMT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL10566907 | 0.72 | MAPT (0.53) | CES1DAONSD2BCHECYP1A2 | |
| SCHEMBL31016527 | 0.72 | MAPT (0.53) | CES1DAONSD2BCHECYP1A2 | |
| SCHEMBL57037 | 0.71 | DNMT1 (0.53) | CES1DNMT1CASP3CASP2CASP7 |
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-118420618-A | D-A conjugated small molecule based on benzindole diketone unit and polymer, preparation method and application thereof | 华南理工大学 | 2024-08-02 | — | — | CN | claimed |
| CN-118420618-A | D-A conjugated small molecule based on benzindole diketone unit and polymer, preparation method and application thereof | 华南理工大学 | 2024-08-02 | — | — | CN | disclosed |