Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | GPR4 | P46093 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9407927 | 0.86 | NPC1 (0.50) | ALDH1A1CA1CA2MAPTHTR4 | |
| SCHEMBL29988751 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CA1CA2MAPTMAPK1 | |
| SCHEMBL408245 | 0.83 | TNKS (0.50) | ALDH1A1CA1CA2MAPTMAPK1 | |
| SCHEMBL437121 | 0.83 | TNKS (0.50) | ALDH1A1CA1CA2MAPTMAPK1 | |
| SCHEMBL9407975 | 0.76 | DGAT1 (0.41) | ALDH1A1TLR9TLR8PARP2 | |
| SCHEMBL9407972 | 0.76 | DGAT1 (0.41) | ALDH1A1TLR9TLR8PARP2 | |
| SCHEMBL407317 | 0.76 | TNKS (0.46) | ALDH1A1CA1CA2MAPTMAPK1 | |
| SCHEMBL408370 | 0.76 | ALDH1A1 (0.62) | ALDH1A1MAPTMAPK1TNKSPARP2 | |
| SCHEMBL439177 | 0.76 | ALDH1A1 (0.62) | ALDH1A1MAPTMAPK1TNKSPARP2 | |
| Hydrochloric Acid SCHEMBL9408112 | 0.75 | DGAT1 (0.41) | ALDH1A1TLR9TLR8TNKSPARP2 |
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-1097753-A | 5-membered heterocycles, preparation method and the pharmaceutical composition that contains these compounds | THOMAE GMBH DR K (DE) | 1995-01-25 | — | — | CN | disclosed |
| EP-0608858-A1 | 5-Membered heterocycles as aggregation inhibitors | Dr. Karl Thomae GmbH (DE) | 1994-08-03 | — | — | EP | disclosed |