Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM6B | O15054 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.44 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30142073 | 1.00 | ALDH1A1 (0.57) | ALDH1A1MAPTL3MBTL1KDM4CNPC1 | |
| SCHEMBL177762 | 1.00 | ALDH1A1 (0.57) | ALDH1A1MAPTL3MBTL1KDM4CNPC1 | |
| Hydrochloric Acid SCHEMBL177902 | 0.98 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KDM4CNPC1 | |
| SCHEMBL27512202 | 0.85 | NPC1 (0.50) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL1937391 | 0.84 | CNR2 (0.59) | ALDH1A1L3MBTL1MRGPRX4 | |
| SCHEMBL1682028 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTL3MBTL1KDM4CNPC1 | |
| SCHEMBL27237665 | 0.83 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL30800091 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTL3MBTL1KDM4CAR | |
| SCHEMBL23461743 | 0.82 | ALDH1A1 (0.44) | ALDH1A1MAPTABL1MRGPRX4MAPK1 | |
| SCHEMBL23461623 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPTL3MBTL1KDM4CMRGPRX4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104045598-B | Thiourea compounds containing arylamine structure, and preparation method and application thereof | 烟台大学 | 2017-02-15 | — | — | CN | disclosed |