Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL28591290 | 0.89 | PKM (0.63) | PKML3MBTL1AKR1C3KMT2AMEN1 | |
| SCHEMBL18479088 | 0.84 | PKM (0.54) | PKML3MBTL1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL28595702 | 0.84 | AKR1C3 (0.48) | PKML3MBTL1SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL20451000 | 0.84 | PKM (0.54) | PKML3MBTL1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL28595706 | 0.81 | MAOB (0.51) | ALDH1A1TP53HTTKMT2AMEN1 | |
| SCHEMBL2024272 | 0.81 | AKR1C3 (0.43) | PKML3MBTL1TSHRALDH1A1AKR1C3 | |
| SCHEMBL4127718 | 0.81 | AKR1C3 (0.43) | PKML3MBTL1TSHRALDH1A1AKR1C3 | |
| SCHEMBL321001 | 0.81 | TSHR (0.43) | PKML3MBTL1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL28587399 | 0.80 | MEN1 (0.53) | PKML3MBTL1SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL30811021 | 0.79 | ALDH1A1 (0.52) | PKML3MBTL1SMN1; SMN2TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113061103-B | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所 | 2022-02-15 | — | — | CN | claimed |
| CN-113061103-B | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所 | 2022-02-15 | — | — | CN | disclosed |
| CN-113061103-A | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所苏州研究院 | 2021-07-02 | — | — | CN | disclosed |