Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL26516808 | 0.82 | CA1 (0.40) | CA1CA2PDE2AGABRA1GABRB2 | |
| SCHEMBL25080954 | 0.79 | GABRA1 (0.39) | CA1CA2PDE2AGABRA1GABRB2 | |
| SCHEMBL759007 | 0.79 | CA12 (0.41) | CA1GABRA1GABRB2KIF11TAAR1 | |
| SCHEMBL26884923 | 0.77 | PDE2A (0.33) | CA1CA2PDE2AKIF11 | |
| SCHEMBL20987970 | 0.76 | CA1 (0.37) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL15764110 | 0.75 | CA1 (0.39) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL15459969 | 0.74 | CA1 (0.38) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL16193055 | 0.74 | CYP3A4 (0.39) | CA1CA2GABRA1GABRB2KIF11 | |
| SCHEMBL11449784 | 0.73 | GABRA1 (0.42) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL26625578 | 0.72 | PDE2A (0.34) | CA1CA2PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284881-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS KRAS G12D INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-01-19 | — | — | WO | disclosed |