Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK6 | P43250 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28075564 | 0.92 | GRK6 (0.54) | GRK6KDM4EPDGFRBPDGFRAALDH1A1 | |
| SCHEMBL28075560 | 0.90 | GRK6 (0.55) | GRK6KDM4EPDGFRBPDGFRAALDH1A1 | |
| SCHEMBL28075506 | 0.89 | NR1H2 (0.61) | GRK6PDGFRBPDGFRAALDH1A1LMNA | |
| SCHEMBL4680875 | 0.88 | GRK6 (0.53) | GRK6 | |
| SCHEMBL28075557 | 0.86 | GRK6 (0.52) | GRK6PDGFRBPDGFRAALDH1A1LMNA | |
| SCHEMBL28075567 | 0.85 | GRK6 (0.50) | GRK6PDGFRBPDGFRAALDH1A1LMNA | |
| SCHEMBL19356065 | 0.84 | PDGFRB (0.53) | GRK6KDM4EHSD17B10PDGFRBPDGFRA | |
| SCHEMBL15117081 | 0.79 | NR1H2 (0.63) | KDM4EHSD17B10ALDH1A1LMNANPC1 | |
| SCHEMBL28830241 | 0.78 | KDM4E (0.69) | KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL31659621 | 0.78 | KDM4E (0.61) | GRK6KDM4EHSD17B10ALDH1A1MAPT |
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-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-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 |