Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031607 | 0.82 | CTSK (0.39) | ALDH1A1AAK1CTSSCTSKKMT2A | |
| SCHEMBL27875653 | 0.81 | AAK1 (0.38) | ITGA4ITGB7ALDH1A1AAK1CTSS | |
| SCHEMBL27894672 | 0.81 | AAK1 (0.38) | ITGA4ITGB7ALDH1A1AAK1CTSS | |
| SCHEMBL9832084 | 0.79 | ALDH1A1 (0.41) | ITGA4ITGB7ALDH1A1CYP3A4AAK1 | |
| SCHEMBL27665873 | 0.79 | DPP4 (0.42) | ALDH1A1AAK1CTSSCTSKMEN1 | |
| SCHEMBL4937584 | 0.79 | DPP4 (0.42) | ALDH1A1AAK1CTSSCTSKMEN1 | |
| SCHEMBL27564999 | 0.79 | DPP4 (0.42) | ALDH1A1AAK1CTSSCTSKMEN1 | |
| SCHEMBL8069348 | 0.79 | ALDH1A1 (0.40) | ITGA4ITGB7ALDH1A1CYP3A4AAK1 | |
| SCHEMBL28261977 | 0.78 | ATM (0.44) | ALDH1A1AAK1CTSSCTSKMEN1 | |
| SCHEMBL28837744 | 0.78 | DPP4 (0.41) | ALDH1A1CYP3A4AAK1CTSSCTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085323-B | Novel synthesis process of Darunavir intermediate | 重庆圣华曦药业股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-105085323-A | Novel synthesis process of Darunavir intermediate | CHONGQING SHENGHUAXI PHARMA CO | 2015-11-25 | — | — | CN | claimed |
| CN-105085323-B | Novel synthesis process of Darunavir intermediate | 重庆圣华曦药业股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-105085323-A | Novel synthesis process of Darunavir intermediate | CHONGQING SHENGHUAXI PHARMA CO | 2015-11-25 | — | — | CN | disclosed |