Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638357 | 0.83 | CDK2 (0.56) | CDK2TSHRTDP1ALDH1A1CYP3A4 | |
| SCHEMBL28692862 | 0.79 | SMN1; SMN2 (0.47) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL30819113 | 0.79 | SMN1; SMN2 (0.47) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL28656884 | 0.77 | TSHR (0.44) | CDK2TSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL28656882 | 0.77 | TSHR (0.44) | CDK2TSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL28692860 | 0.77 | SMN1; SMN2 (0.47) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL30463255 | 0.77 | TSHR (0.51) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL28641142 | 0.77 | TSHR (0.51) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL28848867 | 0.74 | TSHR (0.56) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL29613398 | 0.74 | TSHR (0.56) | TSHRTDP1L3MBTL1ESR1ALDH1A1 |
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-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 |