Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29107811 | 1.00 | CA1 (0.39) | CA1CA2CA4CYP1A2CYP2D6 | |
| SCHEMBL29107520 | 1.00 | CA1 (0.39) | CA1CA2CA4CYP1A2CYP2D6 | |
| SCHEMBL18543688 | 0.82 | CA1 (0.41) | CA1CA2CA4SHBG | |
| SCHEMBL4661800 | 0.82 | CA1 (0.39) | CA1CA2CA4 | |
| SCHEMBL13312938 | 0.80 | CA1 (0.33) | CA1CA2CA4CYP1A2CYP2D6 | |
| SCHEMBL29107468 | 0.78 | CA1 (0.33) | CA1CA2CA4 | |
| SCHEMBL24742718 | 0.76 | CA1 (0.33) | CA1CA2CA4SHBG | |
| SCHEMBL29107471 | 0.74 | CA1 (0.32) | CA1CA2CA4CYP1A2SHBG | |
| SCHEMBL18543674 | 0.74 | CA1 (0.41) | CA1CA2CA4 | |
| SCHEMBL5679969 | 0.74 | KDM4E (0.46) | CA1CA2CA4CYP1A2 |
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-116635378-A | Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof | 赛特凯恩蒂克公司 | 2023-08-22 | — | — | CN | disclosed |