Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29788337 | 0.62 | CA1 (0.71) | CA12CA1CA2CA4CA7 | |
| SCHEMBL301996 | 0.62 | CA1 (0.71) | CA12CA1CA2CA4CA7 | |
| SCHEMBL29429633 | 0.62 | CA1 (0.71) | CA12CA1CA2CA4CA7 | |
| SCHEMBL30599266 | 0.60 | CA1 (0.67) | CA12CA1CA2CA4CA7 | |
| SCHEMBL29740506 | 0.60 | CA1 (0.67) | CA12CA1CA2CA4CA7 | |
| SCHEMBL11099503 | 0.60 | CA1 (0.67) | CA12CA1CA2CA4CA7 | |
| SCHEMBL3643541 | 0.60 | CA1 (0.67) | CA12CA1CA2CA4CA7 | |
| SCHEMBL16174455 | 0.59 | CA1 (0.57) | CA12CA1CA2CA4CA7 | |
| SCHEMBL5576493 | 0.59 | CA1 (0.57) | CA12CA1CA2CA4CA7 | |
| SCHEMBL19204502 | 0.59 | TOP1 (0.46) | CA12CA1CA2CA4CA7 |
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-110698431-B | Synthetic method of 1, 2-benzothiazine compound | 陕西师范大学 | 2022-07-01 | — | — | CN | disclosed |