Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656884 | 1.00 | TSHR (0.44) | TSHRTDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL16516492 | 0.84 | TSHR (0.57) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28778181 | 0.84 | TSHR (0.57) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL30463255 | 0.83 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28641142 | 0.83 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28645723 | 0.82 | CDK2 (0.49) | TSHRTDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL16515955 | 0.80 | TSHR (0.53) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28778178 | 0.79 | ALDH1A1 (0.59) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28675329 | 0.79 | ALDH1A1 (0.59) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28778197 | 0.79 | ALDH1A1 (0.59) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 |
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 |