Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29958517 | 0.84 | AKR1C3 (0.50) | AKR1C3MAOBKDM4EALDH1A1KMT2A | |
| SCHEMBL27033790 | 0.84 | AKR1C3 (0.50) | AKR1C3MAOBKDM4EALDH1A1KMT2A | |
| SCHEMBL28595097 | 0.84 | PKM (0.49) | AKR1C3KDM4EALDH1A1KMT2APOLB | |
| SCHEMBL28595706 | 0.79 | MAOB (0.51) | MAOBALDH1A1KMT2AFBP1PGR | |
| SCHEMBL28587399 | 0.78 | MEN1 (0.53) | MAOBKDM4EALDH1A1KMT2APKM | |
| SCHEMBL29289244 | 0.78 | ALDH1A1 (0.65) | AKR1C3KDM4EALDH1A1KMT2APOLB | |
| SCHEMBL29289242 | 0.78 | ALDH1A1 (0.65) | AKR1C3KDM4EALDH1A1KMT2APOLB | |
| SCHEMBL28591290 | 0.74 | PKM (0.63) | AKR1C3KMT2APOLBPKMMEN1 | |
| SCHEMBL28488562 | 0.72 | CYP1A2 (0.51) | AKR1C3MAOBKDM4EALDH1A1KMT2A | |
| SCHEMBL27507474 | 0.72 | CYP1A2 (0.51) | AKR1C3MAOBKDM4EALDH1A1KMT2A |
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 |