Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 7/20 | 0.55 |
| ▸ | LSS | P48449 | 2/20 | 0.50 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.46 |
| ▸ | EBP | Q15125 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL25653931 | 0.98 | BCHE (0.53) | BCHELSSGNAO1BACE1GNAI3 | |
| Fluoride SCHEMBL30330849 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30330524 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Fluoride SCHEMBL30330940 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30330787 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30330636 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30330288 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30331122 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Hydrochloric Acid SCHEMBL30331079 | 0.95 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 | |
| Fluoride SCHEMBL30330834 | 0.92 | BCHE (0.54) | BCHELSSGNAO1BACE1GNAI3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107235975-B | The synthetic method of tert-butyl 6- benzyl -4- oxygen subunit octahydro -1H- pyrrolo- [3,4-b] picolinic acid ester | 天津药明康德新药开发有限公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-109608460-A | synthesis method of 1, 10-dioxy-2, 7-diazaspiro [4.5] decane-7-tert-butyl formate | 上海合全药业股份有限公司 | 2019-04-12 | — | — | CN | disclosed |