Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | PDE9A | O76083 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632888 | 1.00 | MIF (0.63) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL584622 | 1.00 | MIF (0.63) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL584623 | 1.00 | MIF (0.63) | MIFCYP1A1CYP1B1BACE1GAA | |
| Hydrochloric Acid SCHEMBL6821766 | 0.98 | MIF (0.61) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL7814628 | 0.87 | BACE1 (0.60) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL7814631 | 0.87 | BACE1 (0.60) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL30633014 | 0.85 | CYP1A1 (0.57) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL6821761 | 0.85 | CYP1A1 (0.57) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL29462470 | 0.85 | CYP1A1 (0.57) | MIFCYP1A1CYP1B1BACE1GAA | |
| SCHEMBL4602568 | 0.85 | CYP1A1 (0.57) | MIFCYP1A1CYP1B1BACE1GAA |
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-114230519-B | Pleuromutilin cinnamate compounds with drug-resistant bacteria resisting activity, and synthetic method and application thereof | 西咸新区沣厚原创医药科技有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-114230519-A | Pleuromutilin cinnamate compounds with drug-resistant bacterium resisting activity and synthesis method and application thereof | 陕西科技大学 | 2022-03-25 | — | — | CN | disclosed |