Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.33 |
| ▸ | CCKBR | P32239 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL420876 | 0.93 | — | — | |
| Methane SCHEMBL27749767 | 0.90 | CYP19A1 (0.44) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| SCHEMBL28186226 | 0.90 | CYP19A1 (0.44) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| Bromide SCHEMBL28997982 | 0.90 | CYP19A1 (0.44) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| Ethane SCHEMBL28777304 | 0.88 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| Butane SCHEMBL27860005 | 0.82 | CYP17A1 (0.42) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| Ethyl Chloride SCHEMBL28697836 | 0.80 | CYP17A1 (0.41) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| Butane SCHEMBL28139289 | 0.77 | CYP17A1 (0.40) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| SCHEMBL422418 | 0.73 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP11B2CYP17A1NFKB1 | |
| SCHEMBL421431 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107180954-B | Ultra-thin graphene lithium ion single battery and graphene lithium ion battery pack | 张廷祥 | 2021-10-26 | — | — | CN | disclosed |