Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
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 SCHEMBL28473565 | 0.81 | FKBP5 (0.47) | TSHRFKBP5CRBNOR51E2KDM4E | |
| Caprolactam SCHEMBL2325626 | 0.79 | CRBN (0.61) | FKBP5CRBNOR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28309060 | 0.78 | CRBN (0.52) | TSHRFKBP5CRBNOR51E2KDM4E | |
| Caprolactam SCHEMBL1415360 | 0.77 | CRBN (0.59) | TSHRFKBP5CRBNOR51E2KDM4E | |
| Caprolactam SCHEMBL6746700 | 0.77 | FKBP5 (0.46) | TSHRFKBP5CRBNOR51E2KDM4E | |
| Caprolactam SCHEMBL28211534 | 0.76 | CRBN (0.70) | FKBP5CRBNOR51E2KDM4EGAA | |
| Caprolactam SCHEMBL11135219 | 0.74 | CRBN (0.73) | FKBP5CRBNOR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28299264 | 0.74 | CRBN (0.73) | FKBP5CRBNOR51E2KDM4EGAA | |
| Hydrochloric Acid SCHEMBL18205704 | 0.74 | TSHR (0.90) | TSHRGAAALDH1A1MMP1MMP9 | |
| Caprolactam SCHEMBL10710154 | 0.74 | CRBN (0.80) | FKBP5CRBNOR51E2KDM4EGAA |
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-109776723-A | A kind of amide analog copolymer hydrate dynamic inhibitor and its application | 中国科学院广州能源研究所 | 2019-05-21 | — | — | CN | claimed |
| CN-113214811-A | Efficient natural gas hydrate low-dose compound inhibitor and application thereof | 华南理工大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-110467701-B | Natural gas hydrate inhibitor, compound inhibitor and preparation method thereof | 西北大学 | 2020-10-27 | — | — | CN | disclosed |
| CN-109776723-A | A kind of amide analog copolymer hydrate dynamic inhibitor and its application | 中国科学院广州能源研究所 | 2019-05-21 | — | — | CN | disclosed |