Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595097 | 0.81 | PKM (0.49) | MEN1GAAKMT2ATP53MAPT | |
| SCHEMBL28595702 | 0.79 | AKR1C3 (0.48) | MAOBMEN1GAAKMT2ATP53 | |
| SCHEMBL28587399 | 0.76 | MEN1 (0.53) | MAOBKAT6AMEN1KMT2ATP53 | |
| SCHEMBL9373609 | 0.74 | MAOB (0.50) | MAOBMEN1KMT2AP4HBMAPT | |
| SCHEMBL700921 | 0.74 | MAOB (0.50) | MAOBMEN1KMT2AP4HBMAPT | |
| SCHEMBL28595710 | 0.72 | MAOB (0.52) | MAOBCA1CA2MMP1MMP2 | |
| SCHEMBL28917756 | 0.72 | MAOB (0.52) | MAOBCA1CA2MMP1MMP2 | |
| SCHEMBL28591290 | 0.72 | PKM (0.63) | MEN1KMT2A | |
| SCHEMBL5381429 | 0.72 | MAOB (0.51) | MAOBMEN1KMT2AP4HBMAPT | |
| SCHEMBL5004361 | 0.70 | AKR1C3 (0.58) | MAOBMEN1KMT2AP4HBMAPT |
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-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-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 | 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 |