Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28827830 | 0.89 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HTTADORA3 | |
| SCHEMBL28827858 | 0.87 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2HTTADORA3 | |
| SCHEMBL28827824 | 0.84 | PDE4B (0.51) | NPC1RAB9ASMN1; SMN2HTTADORA3 | |
| SCHEMBL28827826 | 0.82 | ALDH1A1 (0.44) | NPC1RAB9ASMN1; SMN2HTTADORA3 | |
| SCHEMBL28827816 | 0.81 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HTTADORA3 | |
| SCHEMBL28827872 | 0.81 | NR1H2 (0.41) | NPC1RAB9ASMN1; SMN2ADORA3CHRNA7 | |
| SCHEMBL28827847 | 0.80 | CTSS (0.47) | ADORA3ADORA2AADORA1CHRNA7ALDH1A1 | |
| SCHEMBL27552500 | 0.80 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2ADORA3ADORA2A | |
| SCHEMBL28827834 | 0.78 | CHRNA7 (0.59) | NPC1RAB9ASMN1; SMN2ADORA3CHRNA7 | |
| SCHEMBL19524809 | 0.76 | L3MBTL1 (0.54) | NPC1RAB9ASMN1; SMN2ADORA3ADORA2A |
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-115010673-B | Method for synthesizing 1,3, 5-triazine compounds under visible light-induced metal-free catalysis condition | 河南大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-115010673-A | Method for synthesizing 1,3,5-triazine compound under visible light induction and metal-free catalysis condition | 河南大学 | 2022-09-06 | — | — | CN | disclosed |