Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 5/20 | 0.32 |
| ▸ | DRD3 | P35462 | 5/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25566982 | 0.95 | CHRNA1 (0.39) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL25567063 | 0.95 | CHRNA1 (0.39) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL25566854 | 0.90 | KDM4E (0.33) | KDM4EALDH1A1GAACA1CA2 | |
| SCHEMBL25566903 | 0.90 | KDM4E (0.33) | KDM4EALDH1A1GAACA1CA2 | |
| SCHEMBL25566853 | 0.85 | CHRNA1 (0.46) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL25566981 | 0.81 | XDH (0.35) | DYRK1ATTRALB | |
| SCHEMBL25567065 | 0.81 | XDH (0.35) | DYRK1ATTRALB | |
| SCHEMBL24791025 | 0.79 | CHRNA1 (0.50) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL19207348 | 0.79 | CHRNA1 (0.50) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL25567820 | 0.77 | STS (0.39) | GRIN2B |
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 |