Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014433 | 0.90 | ALDH1A1 (0.86) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL29723317 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL31140049 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL1930571 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL21333932 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL1702480 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL9069200 | 0.88 | ALDH1A1 (0.89) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL29828588 | 0.85 | ALDH1A1 (0.78) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL4291079 | 0.85 | ALDH1A1 (0.78) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL31438950 | 0.84 | ALDH1A1 (0.72) | ALDH1A1PRSS1PRSS2PRSS3L3MBTL1 |
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-106866419-B | Terpene ester compounds and preparation method and application thereof | 石河子大学 | 2020-01-10 | — | — | CN | disclosed |