Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 14/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19978200 | 0.86 | CA1 (0.37) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL24223538 | 0.82 | CTSK (0.40) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL19978301 | 0.80 | CA1 (0.38) | CA1CA7CA12CA14CTSK | |
| SCHEMBL10011981 | 0.78 | CA12 (0.37) | CA1CA7CA12CA14CTSK | |
| SCHEMBL19823872 | 0.77 | CA1 (0.36) | CA1CA7CA12CA14TDP1 | |
| Butanal SCHEMBL5051895 | 0.77 | ALDH1A1 (0.46) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL19978199 | 0.76 | CA1 (0.35) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL22168208 | 0.73 | CA1 (0.35) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL28464582 | 0.71 | EPHX1 (0.38) | KMT2AALDH1A1CA2MEN1 | |
| SCHEMBL240769 | 0.71 | CA1 (0.42) | CA1CA7CA12CA14TDP1 |
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-106795147-B | Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use | 美国安进公司 | 2020-09-22 | — | — | CN | disclosed |