Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096394 | 1.00 | PTGS2 (0.57) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL8972556 | 0.86 | PTGS2 (0.56) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL30666958 | 0.85 | PTGS2 (0.55) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL29127912 | 0.85 | PTGS2 (0.55) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL22568905 | 0.83 | PTGS2 (0.50) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL7090598 | 0.82 | CYP11B2 (0.50) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 | |
| SCHEMBL30666878 | 0.82 | CYP11B2 (0.53) | PTGS2CYP11B2CYP11B1CYP19A1IP6K1 | |
| SCHEMBL30487694 | 0.82 | CYP11B1 (0.54) | PTGS2CYP11B2CYP11B1CYP19A1IP6K1 | |
| SCHEMBL6287169 | 0.82 | CYP11B1 (0.54) | PTGS2CYP11B2CYP11B1CYP19A1IP6K1 | |
| SCHEMBL6285180 | 0.80 | CYP11B2 (0.61) | PTGS2CYP11B2CYP11B1CYP19A1ALDH1A1 |
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-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |
| CN-116410237-A | Synthesis method of non-bridged symmetrical metallocene catalyst, product and application thereof | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | disclosed |