Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.44 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 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 | |
|---|---|---|---|---|
| (2E)-Hexenoic Acid SCHEMBL3048610 | 0.92 | TSHR (0.50) | TSHRGABRR1GABRR2BLMGABRR3 | |
| (2Z)-Hexenoic Acid SCHEMBL3504637 | 0.92 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL27373174 | 0.92 | TSHR (0.50) | TSHRGABRR1GABRR2BLMGABRR3 | |
| (2E)-Hexenoic Acid SCHEMBL23614 | 0.92 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL23615 | 0.92 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL27732732 | 0.90 | TSHR (0.44) | TSHRGABRR1GABRR2BLMGABRR3 | |
| (2E)-Hexenoic Acid SCHEMBL28532321 | 0.90 | TSHR (0.48) | TSHRGABRR1GABRR2BLMGABRR3 | |
| (2E)-Hexenoic Acid SCHEMBL29017251 | 0.90 | TSHR (0.48) | TSHRGABRR1GABRR2BLMGABRR3 | |
| (2E)-Hexenoic Acid SCHEMBL7927817 | 0.90 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL10522058 | 0.90 | TSHR (0.48) | TSHRGABRR1GABRR2BLMGABRR3 |
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-116178699-A | Drug delivery carrier material capable of promoting drug to enter cells, and preparation method and application thereof | 浙江大学医学院附属第一医院 | 2023-05-30 | — | — | CN | disclosed |