Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30472345 | 1.00 | HCAR3 (0.44) | HCAR3HCAR2PARP1ALDH1A1TP53 | |
| SCHEMBL28890126 | 0.77 | AKR1C1 (0.46) | ALDH1A1KMT2AHTT | |
| SCHEMBL671822 | 0.76 | AKR1C1 (0.53) | HCAR3HCAR2ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL28404526 | 0.75 | CES2 (0.41) | TP53MAOAMAOBKMT2AMEN1 | |
| SCHEMBL1492825 | 0.73 | AKR1C1 (0.59) | HCAR3HCAR2ALDH1A1GAAHPGD | |
| SCHEMBL4502888 | 0.73 | AKR1C1 (0.65) | HCAR3HCAR2ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL19280164 | 0.73 | HCAR3 (0.44) | HCAR3HCAR2PARP1ALDH1A1TP53 | |
| SCHEMBL207081 | 0.72 | ALDH1A1 (0.41) | HCAR3HCAR2PARP1ALDH1A1TP53 | |
| SCHEMBL17632673 | 0.72 | AKR1C1 (0.62) | HCAR3HCAR2ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL30520969 | 0.72 | HCAR3 (0.43) | HCAR3HCAR2PARP1ALDH1A1TP53 |
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-116396279-B | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-116396279-A | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | disclosed |