Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1666 | 0.91 | TDP1 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28831553 | 0.88 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28556505 | 0.88 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.84 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.84 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.84 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.84 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Methyl Alcohol SCHEMBL28358131 | 0.82 | TDP1 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Formaldehyde SCHEMBL28769024 | 0.81 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Formaldehyde SCHEMBL10734165 | 0.81 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E |
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-114874227-B | Catalyst for amide synthesis and preparation and application thereof | 兰州大学 | 2022-10-04 | — | — | CN | claimed |
| CN-114874227-A | Catalyst for amide synthesis and preparation and application thereof | 兰州大学 | 2022-08-09 | — | — | CN | claimed |
| CN-114874227-B | Catalyst for amide synthesis and preparation and application thereof | 兰州大学 | 2022-10-04 | — | — | CN | disclosed |
| CN-114874227-A | Catalyst for amide synthesis and preparation and application thereof | 兰州大学 | 2022-08-09 | — | — | CN | disclosed |