Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | EDNRB | P24530 | 2/20 | 0.47 |
| ▸ | EDNRA | P25101 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096009 | 0.83 | PDE4A (0.51) | MAPTTSHRMAPK1PDE4APDE4B | |
| SCHEMBL28095676 | 0.79 | DCUN1D1 (0.51) | MAPTTSHRMAPK1ADORA2AADORA1 | |
| SCHEMBL28095608 | 0.79 | DCUN1D1 (0.51) | MAPTTSHRMAPK1ADORA2AADORA1 | |
| SCHEMBL28075558 | 0.79 | DCUN1D1 (0.51) | MAPTTSHRMAPK1ADORA2AADORA1 | |
| SCHEMBL28096012 | 0.78 | PDE4A (0.48) | MAPTTSHRMAPK1PDE4APDE4B | |
| Hydrochloric Acid SCHEMBL6581075 | 0.78 | ADORA2A (0.58) | TSHRMAPK1PDE4APDE4BPDE4C | |
| SCHEMBL15117081 | 0.76 | NR1H2 (0.63) | MAPTTSHRMAPK1ADORA2AADORA1 | |
| SCHEMBL28075557 | 0.75 | GRK6 (0.52) | MAPTMEN1KMT2ASMN1; SMN2DCUN1D1 | |
| SCHEMBL17280056 | 0.75 | DCUN1D1 (0.62) | MAPTTSHRADORA2AADORA1KDR | |
| Hydrochloric Acid SCHEMBL6578211 | 0.75 | ADORA2A (0.58) | MAPTTSHRMAPK1ADORA2AADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | claimed |
| CN-106243130-B | 3,6- diaryl-[1,2,4] triazole simultaneously [3,4-b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | disclosed |