Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 2/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL538459 | 0.86 | NPC1 (0.52) | SCN2AALDH1A1XDHNPC1RAB9A | |
| SCHEMBL47071 | 0.85 | HRH1 (0.57) | SCN2AALDH1A1TSHRADORA2AADORA1 | |
| SCHEMBL13258488 | 0.72 | LMNA (0.42) | ALDH1A1TSHRMAPK13RAF1MAPK12 | |
| SCHEMBL384952 | 0.71 | NPC1 (0.61) | SCN2AALDH1A1TNKSTNKS2NPC1 | |
| SCHEMBL419214 | 0.70 | HDAC6 (0.46) | ALDH1A1KIF11NPBWR1TNKSTNKS2 | |
| SCHEMBL10171990 | 0.70 | SCN10A (0.45) | SCN2AKIF11WNT3ATNKS2KCNH2 | |
| SCHEMBL25255395 | 0.69 | NPBWR1 (0.50) | SCN2AKIF11NPBWR1TNKSWNT3A | |
| SCHEMBL24317555 | 0.69 | NPC1 (0.59) | SCN2AALDH1A1TNKSTNKS2NPC1 | |
| Trifluoromethylbenzene SCHEMBL28143223 | 0.69 | TSHR (0.88) | ALDH1A1TSHRKIF11NPC1RAB9A | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.68 | TSHR (1.00) | ALDH1A1TSHRKIF11NPC1RAB9A |
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-104557749-B | 3-phenyl-5-(4-trifluoromethyl phenylamino)-4H-1,2,4-triazole as well as synthetic process and application thereof | 武汉工程大学 | 2017-01-18 | — | — | CN | disclosed |