Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19252985 | 0.87 | SIRT3 (0.32) | SIRT3TDP1CA2CA9SLC40A1 | |
| SCHEMBL21032496 | 0.70 | CYP2A6 (0.34) | — | |
| SCHEMBL21032495 | 0.67 | CA12 (0.41) | TDP1CA2CA9 | |
| SCHEMBL6617958 | 0.67 | CA12 (0.30) | CA2CA9 | |
| SCHEMBL20644238 | 0.62 | CA9 (0.51) | TDP1CA2CA9SLC40A1 | |
| SCHEMBL19194180 | 0.62 | KDM4E (0.48) | TDP1CA2CA9SLC40A1 | |
| SCHEMBL6618431 | 0.61 | NAMPT (0.32) | CA2CA9 | |
| SCHEMBL8562486 | 0.60 | CYP3A4 (0.33) | CA2CA9 | |
| SCHEMBL88832 | 0.60 | KDM4E (0.31) | TDP1 | |
| SCHEMBL8996184 | 0.58 | SIRT3 (0.35) | SIRT3TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017133655-A1 | BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE | 浙江大学 | 2017-08-10 | — | — | WO | disclosed |