Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29127931 | 1.00 | CA1 (0.55) | CA1CA2IDO1AGXTMAOB | |
| SCHEMBL2608864 | 0.85 | CA1 (0.62) | CA1CA2IDO1AGXTMAOB | |
| SCHEMBL30667095 | 0.83 | CA1 (0.55) | CA1CA2IDO1AGXTMAOB | |
| SCHEMBL3553296 | 0.83 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL18843235 | 0.83 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL13764949 | 0.83 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL12474868 | 0.82 | SLC6A4 (0.61) | CA1CA2IDO1AGXTMAOB | |
| SCHEMBL12697374 | 0.82 | SLC6A4 (0.61) | CA1CA2IDO1AGXTMAOB | |
| SCHEMBL5200977 | 0.81 | IDO1 (0.47) | IDO1AGXTMAOBTAAR1APP | |
| Hydrochloric Acid SCHEMBL5202301 | 0.79 | IDO1 (0.48) | IDO1AGXTMAOBTAAR1APP |
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-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 |