Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.61 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.60 |
| ▸ | GRK6 | P43250 | 3/20 | 0.54 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28075560 | 0.89 | GRK6 (0.55) | NR1H2NR1H3ADORA2AADORA1GRK6 | |
| SCHEMBL28075509 | 0.89 | GRK6 (0.60) | GRK6PDGFRBPDGFRALMNAMEN1 | |
| SCHEMBL28075564 | 0.83 | GRK6 (0.54) | GRK6PDGFRBPDGFRALMNAALDH1A1 | |
| SCHEMBL4680875 | 0.82 | GRK6 (0.53) | GRK6 | |
| SCHEMBL17279794 | 0.81 | NR1H2 (0.86) | NR1H2NR1H3ADORA2AADORA1GRK6 | |
| SCHEMBL28075505 | 0.81 | NR1H2 (0.68) | NR1H2NR1H3ADORA2AADORA1GRK6 | |
| SCHEMBL28075557 | 0.80 | GRK6 (0.52) | GRK6DCUN1D1PDGFRBPDGFRALMNA | |
| SCHEMBL28075567 | 0.79 | GRK6 (0.50) | GRK6PDGFRBPDGFRALMNAMAPT | |
| SCHEMBL19356065 | 0.78 | PDGFRB (0.53) | GRK6PDGFRBPDGFRALMNAMEN1 | |
| SCHEMBL29035880 | 0.77 | NR1H2 (0.89) | NR1H2NR1H3ADORA2AADORA1GRK6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008557-B | 3,6- diaryl-[1,2,4] triazole simultaneously purposes of [3,4-b] [1,3,4] thiadiazole compound as tumor cell proliferation inhibitor | 沈阳药科大学 | 2019-03-01 | — | — | CN | claimed |
| CN-106008557-A | Application of 3,6-diaryl-[1,2,4] triazolo[3,4-b][1,3,4] thiadiazole compound as tumor cell proliferation inhibitor | 沈阳药科大学 | 2016-10-12 | — | — | CN | claimed |
| CN-106008557-B | 3,6- diaryl-[1,2,4] triazole simultaneously purposes of [3,4-b] [1,3,4] thiadiazole compound as tumor cell proliferation inhibitor | 沈阳药科大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-106008557-A | Application of 3,6-diaryl-[1,2,4] triazolo[3,4-b][1,3,4] thiadiazole compound as tumor cell proliferation inhibitor | 沈阳药科大学 | 2016-10-12 | — | — | CN | disclosed |