Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14989115 | 0.92 | CA2 (0.41) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL8944580 | 0.86 | PPARA (0.42) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL6271118 | 0.85 | ALDH1A1 (0.37) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL28149306 | 0.84 | CA2 (0.36) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL5518689 | 0.84 | ALDH1A1 (0.41) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL28121431 | 0.84 | ALDH1A1 (0.41) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL9622773 | 0.83 | ALDH1A1 (0.43) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL20920808 | 0.83 | CA2 (0.41) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL28174793 | 0.83 | CA2 (0.41) | BCL2L1ALDH1A1CA2CYP3A4TSHR | |
| SCHEMBL8959367 | 0.82 | CA2 (0.46) | ALDH1A1CA2CYP3A4TSHRMAPK1 |
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 |