Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447105 | 0.87 | CA2 (0.36) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL14989115 | 0.86 | CA2 (0.41) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL14989261 | 0.84 | ALDH1A1 (0.38) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL28844950 | 0.84 | BCL2L1 (0.39) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL8506941 | 0.84 | ALDH1A1 (0.41) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL9622770 | 0.84 | ALDH1A1 (0.38) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL11331262 | 0.82 | ALDH1A1 (0.44) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL6057194 | 0.82 | ALDH1A1 (0.48) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL226029 | 0.82 | ALDH1A1 (0.41) | CA2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL8944580 | 0.82 | PPARA (0.42) | CA2ALDH1A1CYP3A4TSHRMAPK1 |
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-104560275-B | Antirust agent composition and use thereof | 中国石油化工股份有限公司 | 2017-05-17 | — | — | CN | claimed |
| CN-104560275-B | Antirust agent composition and use thereof | 中国石油化工股份有限公司 | 2017-05-17 | — | — | CN | disclosed |