Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2602432 | 1.00 | CD44 (0.48) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL28621174 | 0.90 | ALDH1A1 (0.43) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL6318211 | 0.89 | NPC1 (0.44) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5647993 | 0.83 | CYP3A4 (0.54) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL24528368 | 0.83 | ALDH1A1 (0.48) | ADORA2AALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL1263501 | 0.82 | ADORA2A (0.39) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL4749661 | 0.82 | ALDH1A1 (0.46) | CD44ALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL394565 | 0.82 | ALDH1A1 (0.65) | ADORA2AALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL2944534 | 0.81 | CD44 (0.46) | CD44ADORA2AALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL23625587 | 0.81 | ALDH1A1 (0.54) | ADORA2AALDH1A1HSD17B10CYP3A4TSHR |
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-111747933-B | Substituted 1,3, 5-triazine compound, composition and application thereof | 吉林省元合电子材料有限公司 | 2022-03-01 | — | — | CN | disclosed |