Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | MYB | P10242 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25567565 | 0.93 | ALDH1A1 (0.34) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL25568068 | 0.86 | CA1 (0.43) | CA1CA2MYBSLC6A4ALDH1A1 | |
| SCHEMBL25567624 | 0.83 | ADRA2C (0.38) | STSADRA2CGABRA1GABRG2GABRB3 | |
| SCHEMBL25567934 | 0.80 | PLG (0.35) | CA1CA2STSADRA2CGABRA1 | |
| SCHEMBL25567820 | 0.78 | STS (0.39) | STSADRA2CGSK3BGABRA1GABRG2 | |
| SCHEMBL25567919 | 0.78 | SLC9A1 (0.36) | GABRA1GABRG2GABRB3GABRA2ALDH1A1 | |
| SCHEMBL25566853 | 0.78 | CHRNA1 (0.46) | CA1CA2ADRA2CCHRNA1CHRNG | |
| SCHEMBL25567916 | 0.76 | POLB (0.38) | CA1CA2ALDH1A1HPGDTSHR | |
| SCHEMBL25567824 | 0.75 | STS (0.40) | CA1CA2STSGABRA1GABRG2 | |
| SCHEMBL25566977 | 0.75 | CHRNA1 (0.36) | CA1CA2CHRNA1CHRNGCHRNB1 |
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-2023094412-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-06-01 | — | — | WO | disclosed |