Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | MMP1 | P03956 | 1/20 | 0.61 |
| ▸ | MMP2 | P08253 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | MMP8 | P22894 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.58 |
| ▸ | IL1RN | P18510 | 1/20 | 0.58 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GBA1 | P04062 | 1/20 | 0.52 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29653769 | 0.97 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL798074 | 0.97 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1302465 | 0.94 | CA1 (0.61) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL29011157 | 0.94 | CA1 (0.61) | CA1CA2MMP1MMP2MMP9 | |
| Potassium SCHEMBL29568431 | 0.94 | CA1 (0.61) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6822933 | 0.94 | CA1 (0.61) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL31120812 | 0.94 | CA1 (0.61) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL24036684 | 0.87 | CA1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5857917 | 0.87 | MMP2 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL8564462 | 0.84 | KMT2A (0.66) | CA1CA2MMP1MMP2MMP9 |
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-107245023-B | A kind of selectivity deoxofluorination reagent and method | 中国科学院上海有机化学研究所 | 2019-08-16 | — | — | CN | disclosed |
| CN-107245023-A | A kind of selective deoxofluorination reagent and method | 中国科学院上海有机化学研究所 | 2017-10-13 | — | — | CN | disclosed |