Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31272589 | 0.78 | POLB (0.43) | HDAC6HDAC1CYP19A1SMN1; SMN2NPC1 | |
| SCHEMBL9381426 | 0.72 | CALM1 (0.41) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL2360983 | 0.72 | CYP19A1 (0.47) | HDAC6HDAC1CYP19A1TNFCYP11B1 | |
| SCHEMBL10570719 | 0.71 | LMNA (0.45) | HDAC6HDAC1CYP19A1TNFCYP11B1 | |
| SCHEMBL27994654 | 0.71 | ALDH1A1 (0.47) | HDAC6HDAC1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28621758 | 0.71 | SMN1; SMN2 (0.43) | HDAC1CYP19A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL25416318 | 0.70 | CYP19A1 (0.48) | HDAC6HDAC1CYP19A1TNFCYP11B1 | |
| SCHEMBL18029739 | 0.69 | PTGS2 (0.42) | HDAC6HDAC1CYP19A1KLKB1KLK1 | |
| SCHEMBL11584045 | 0.69 | KLKB1 (0.50) | HDAC6HDAC1KLKB1KLK1PARP1 | |
| SCHEMBL16014748 | 0.68 | HDAC1 (0.58) | HDAC6HDAC1CYP19A1TNFCYP11B1 |
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-110577498-B | Triazole compound and application thereof in agriculture | 东莞市东阳光农药研发有限公司 | 2020-07-24 | — | — | CN | disclosed |
| CN-110577498-A | Triazole compound and application thereof in agriculture | 东莞市东阳光农药研发有限公司 | 2019-12-17 | — | — | CN | disclosed |