Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15365196 | 1.00 | TAAR1 (0.52) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL397893 | 0.86 | ALDH1A1 (0.58) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29414649 | 0.86 | TAAR1 (0.39) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL28460183 | 0.86 | TAAR1 (0.39) | TAAR1KDM4EMEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL9312308 | 0.84 | ALDH1A1 (0.56) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29274144 | 0.81 | TAAR1 (0.48) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29281800 | 0.81 | TAAR1 (0.48) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL15365208 | 0.79 | KDR (0.46) | TAAR1ALDH1A1HSD17B10MAP4K4PRKACA | |
| SCHEMBL17595008 | 0.79 | MAP4K4 (0.53) | KDM4EMEN1MAPTKMT2AALDH1A1 | |
| SCHEMBL18480719 | 0.78 | CD44 (0.39) | TAAR1ALDH1A1HSD17B10MAP4K4PIM1 |
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 |