Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL30924811 | 0.81 | CES2 (0.39) | MAPTCA1CA2ALDH1A1CES2 | |
| SCHEMBL30924806 | 0.81 | CES2 (0.39) | MAPTCA1CA2ALDH1A1HPGD | |
| SCHEMBL30924791 | 0.77 | NR4A1 (0.46) | MAPTALDH1A1CES2CES1TGM2 | |
| SCHEMBL30924808 | 0.76 | HPGD (0.51) | MAPTALDH1A1HPGDCES2CES1 | |
| SCHEMBL2813142 | 0.76 | CA1 (0.53) | MAPTCA1CA2PARP10PARP1 | |
| SCHEMBL2813135 | 0.76 | CA1 (0.53) | MAPTCA1CA2PARP10PARP1 | |
| SCHEMBL12670454 | 0.75 | CES2 (0.53) | MAPTCA1CA2PARP10PARP1 | |
| SCHEMBL10399151 | 0.74 | CA1 (0.55) | MAPTCA1CA2PARP10PARP1 | |
| SCHEMBL10399155 | 0.74 | CA1 (0.55) | MAPTCA1CA2PARP10PARP1 | |
| SCHEMBL6260774 | 0.73 | F3 (0.62) | MAPTCA1CA2PARP10PARP1 |
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-118125919-A | Preparation method of conjugated triene compound | 华南理工大学 | 2024-06-04 | — | — | CN | disclosed |