Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28030653 | 0.82 | FAAH (0.48) | ALDH1A1MTNR1AMTNR1BRECQLLMNA | |
| Toluene SCHEMBL27866094 | 0.81 | ITGB3 (0.47) | ALDH1A1MTNR1AMTNR1BRECQLLMNA | |
| SCHEMBL528195 | 0.78 | — | — | |
| SCHEMBL8078660 | 0.75 | MEN1 (0.50) | ALDH1A1ACERECQLMMELMNA | |
| SCHEMBL9080 | 0.74 | GAA (0.66) | ALDH1A1TSHRLMNAKMT2AHPGD | |
| Phenaceturic Acid SCHEMBL196523 | 0.74 | ATM (0.62) | ALDH1A1LMNAKMT2AHPGDMEN1 | |
| Phenaceturic Acid SCHEMBL14126285 | 0.74 | ATM (0.62) | ALDH1A1LMNAKMT2AHPGDMEN1 | |
| SCHEMBL23471380 | 0.73 | MEN1 (0.48) | ALDH1A1ACERECQLMMELMNA | |
| Benzyl Bromide SCHEMBL1233939 | 0.73 | ALDH1A1 (0.70) | ALDH1A1TRPA1TSHRCES2CES1 | |
| Benzyl Bromide SCHEMBL1233938 | 0.73 | ALDH1A1 (0.70) | ALDH1A1TRPA1TSHRCES2CES1 |
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-105037248-B | A kind of synthetic method of Aiweimopan | 山东罗欣药业集团股份有限公司 | 2017-10-03 | — | — | CN | disclosed |
| CN-105037248-A | Synthesis method of alvimopan | SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD | 2015-11-11 | — | — | CN | disclosed |