Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11452065 | 0.86 | CYP2C9 (0.37) | CYP2C9CYP1A2CYP2C19HTTCES1 | |
| SCHEMBL882496 | 0.83 | TDP1 (0.39) | CYP2C9CYP1A2CYP2C19HTTTDP1 | |
| SCHEMBL9784216 | 0.83 | CYP1A2 (0.41) | CYP2C9CYP1A2CYP2C19HTTTDP1 | |
| SCHEMBL22145756 | 0.82 | HDAC3 (0.36) | CYP2C9CYP1A2CYP2C19HTTTDP1 | |
| SCHEMBL12234191 | 0.80 | HDAC3 (0.35) | CYP2C9CYP1A2CYP2C19HTTTDP1 | |
| SCHEMBL20087381 | 0.80 | TDP1 (0.44) | CYP2C9CYP1A2CYP2C19HTTCES1 | |
| SCHEMBL26337010 | 0.79 | CES1 (0.34) | CYP2C9CYP1A2CYP2C19HTTCES1 | |
| SCHEMBL13062086 | 0.79 | HDAC3 (0.37) | CYP2C9CYP1A2CYP2C19HTTHDAC3 | |
| SCHEMBL4202803 | 0.79 | TSHR (0.43) | CYP2C9CYP1A2CYP2C19HTTTDP1 | |
| SCHEMBL25645503 | 0.78 | CYP1A2 (0.56) | CYP2C9CYP1A2CYP2C19HTTTP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563659-B | Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot | 浙江工业大学 | 2020-08-21 | — | — | CN | claimed |
| CN-110563659-A | Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot | 浙江工业大学 | 2019-12-13 | — | — | CN | claimed |
| EP-3912982-A1 | NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF | Hangzhou Dac Biotech Co., Ltd (CN) | 2021-11-24 | — | — | EP | disclosed |
| EP-3271329-B1 | NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF | HANGZHOU DAC BIOTECH CO LTD (CN) | 2021-08-18 | — | — | EP | disclosed |
| CN-110563659-B | Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot | 浙江工业大学 | 2020-08-21 | — | — | CN | disclosed |
| CN-110563659-A | Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot | 浙江工业大学 | 2019-12-13 | — | — | CN | disclosed |