Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HK2 | P52789 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10684202 | 0.75 | PTGS2 (0.55) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL3200760 | 0.73 | — | — | |
| SCHEMBL592300 | 0.73 | PTGS2 (0.65) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL11595368 | 0.71 | PTGS2 (0.51) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL10736364 | 0.71 | PTGS2 (0.69) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL6674116 | 0.68 | PTGS2 (0.55) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL11595370 | 0.68 | PTGS2 (0.44) | PTGS2KMT2APDE4BMAPTMEN1 | |
| SCHEMBL210321 | 0.67 | BACE1 (0.50) | KMT2APDE4BMAPTMEN1ALDH1A1 | |
| Benzene SCHEMBL28277789 | 0.67 | BACE1 (0.50) | KMT2APDE4BMAPTMEN1ALDH1A1 | |
| Benzene SCHEMBL28133344 | 0.67 | BACE1 (0.50) | KMT2APDE4BMAPTMEN1ALDH1A1 |
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-101790981-B | Use of cis-butenedioic anhydride compounds in preparation of Sclerotinia sclerotiorum bacteriostat | UNIV ZHEJIANG TECHNOLOGY | 2012-09-19 | — | — | CN | disclosed |
| CN-101790981-A | Use of cis-butenedioic anhydride compounds in preparation of Sclerotinia sclerotiorum bacteriostat | UNIV ZHEJIANG TECHNOLOGY | 2010-08-04 | — | — | CN | disclosed |