Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587401 | 1.00 | HSD11B1 (0.54) | HSD11B1KAT6AMAOBNPC1RAB9A | |
| SCHEMBL31555603 | 0.82 | HSD11B1 (0.50) | HSD11B1KAT6AMAOBNPC1RAB9A | |
| SCHEMBL28595098 | 0.80 | ALDH1A1 (0.50) | HSD11B1KAT6ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28595090 | 0.80 | ALDH1A1 (0.50) | HSD11B1KAT6ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28595699 | 0.78 | PGR (0.44) | KAT6AMAOBNPC1RAB9APARP1 | |
| SCHEMBL28595703 | 0.78 | PGR (0.44) | KAT6AMAOBNPC1RAB9APARP1 | |
| SCHEMBL28595710 | 0.77 | MAOB (0.52) | KAT6AMAOBRAB9ACES2MEN1 | |
| SCHEMBL28917756 | 0.77 | MAOB (0.52) | KAT6AMAOBRAB9ACES2MEN1 | |
| SCHEMBL6932659 | 0.75 | HSD11B1 (0.54) | HSD11B1KAT6AMAOBNPC1RAB9A | |
| SCHEMBL9010756 | 0.72 | HSD11B1 (0.57) | HSD11B1KAT6AMAOBNPC1RAB9A |
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-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 |