Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 4/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Caprolactam SCHEMBL28358108 | 0.92 | TSHR (0.58) | TSHRHPGDFKBP5CRBNOR51E2 | |
| Caprolactam SCHEMBL6746702 | 0.87 | TSHR (0.54) | TSHRHPGDFKBP5CRBNOR51E2 | |
| Caprolactam SCHEMBL16111840 | 0.83 | TSHR (0.44) | TSHRHPGDFKBP5CRBNALDH1A1 | |
| Acrylic Acid Ethyl Ester SCHEMBL2492791 | 0.82 | OR51E2 (0.47) | TSHRHPGDFKBP5CRBNOR51E2 | |
| Caprolactam SCHEMBL28309060 | 0.81 | CRBN (0.52) | TSHRFKBP5CRBNOR51E2KDM4E | |
| 2-Pyrrolidone SCHEMBL27468084 | 0.80 | OR51E2 (0.41) | TSHRHPGDFKBP5CRBNOR51E2 | |
| Caprolactam SCHEMBL11276986 | 0.79 | CRBN (0.53) | FKBP5CRBNOR51E2KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL7522500 | 0.77 | TSHR (0.53) | TSHRHPGDOR51E2ALDH1A1CYP3A4 | |
| 2-Pyrrolidone SCHEMBL15820361 | 0.77 | TSHR (0.53) | TSHRHPGDOR51E2ALDH1A1CYP3A4 | |
| Caprolactam SCHEMBL6746700 | 0.76 | FKBP5 (0.46) | TSHRFKBP5CRBNOR51E2KDM4E |
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-107406533-A | The manufacture method of waterborne liquid containing polyvinyl and the manufacture method of waterproofing/oilproofing agent | 旭硝子株式会社 | 2017-11-28 | — | — | CN | disclosed |
| CN-107099151-A | Encapulant composition | 大金工业株式会社 | 2017-08-29 | — | — | CN | disclosed |