Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9852786 | 0.81 | CYP2A6 (0.34) | CYP2A6L3MBTL1NPC1RAB9AMAPT | |
| SCHEMBL27736947 | 0.81 | ALDH1A1 (0.34) | CYP2A6TDP1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL5537190 | 0.78 | CYP2A6 (0.34) | CYP2A6L3MBTL1NPC1RAB9AMAPT | |
| SCHEMBL9572751 | 0.78 | CYP2A6 (0.35) | CYP2A6L3MBTL1MAPTTDP1ALDH1A1 | |
| SCHEMBL8192441 | 0.77 | ADH1B (0.44) | CYP2A6NPC1SMN1; SMN2ALDH1A1CNR2 | |
| SCHEMBL5544270 | 0.75 | CYP2A6 (0.33) | CYP2A6L3MBTL1TDP1GAA | |
| SCHEMBL2263945 | 0.74 | SLC1A3 (0.35) | CYP2A6 | |
| SCHEMBL8186459 | 0.74 | KMT2A (0.36) | CYP2A6MAPTGAAALDH1A1TSHR | |
| SCHEMBL2268282 | 0.74 | SLC1A3 (0.35) | CYP2A6 | |
| SCHEMBL9572752 | 0.74 | CYP2A6 (0.44) | CYP2A6MAPTTDP1GAAALDH1A1 |
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 5 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 |
| US-6384065-B1 | CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-05-07 | — | — | US | disclosed |