Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CASP6 | P55212 | 2/20 | 0.44 |
| ▸ | DNA2 | P51530 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | DTYMK | P23919 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645727 | 0.83 | CDK2 (0.43) | CDK2TSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL10463588 | 0.81 | CDK2 (0.48) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL9279173 | 0.78 | CDK2 (0.52) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL11440937 | 0.75 | CDK2 (0.51) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL2870921 | 0.74 | TSHR (0.62) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL11422869 | 0.73 | CDK2 (0.50) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL9079253 | 0.73 | CDK2 (0.47) | CDK2TSHRMEN1KMT2ACASP6 | |
| SCHEMBL31606817 | 0.73 | TDP1 (0.51) | CDK2TSHRCASP6DNA2CTDSP1 | |
| SCHEMBL1274665 | 0.73 | ALDH1A1 (0.53) | TSHRMEN1KMT2ACASP6ALDH1A1 | |
| SCHEMBL30399151 | 0.72 | CDK2 (0.55) | CDK2TSHRMEN1KMT2ACASP6 |
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-112778137-A | End-position nitrated 3, 4-perylene dicarboxylic ester compound and synthetic method and application thereof | 山东师范大学 | 2021-05-11 | — | — | CN | claimed |
| CN-112778137-A | End-position nitrated 3, 4-perylene dicarboxylic ester compound and synthetic method and application thereof | 山东师范大学 | 2021-05-11 | — | — | CN | disclosed |