Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.30 |
| ▸ | MAOB | P27338 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL27628880 | 0.80 | PGR (0.32) | — | |
| SCHEMBL27609897 | 0.76 | PTPN1 (0.37) | — | |
| SCHEMBL27606465 | 0.74 | P2RX4 (0.35) | CHRNB4CHRNA3 | |
| SCHEMBL27683812 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL27841613 | 0.71 | ESR1 (0.36) | CHRNB4CHRNA3 | |
| SCHEMBL27859215 | 0.68 | MEN1 (0.34) | CHRNB4CHRNA3 | |
| SCHEMBL27683810 | 0.60 | ERN1 (0.32) | ERN1 | |
| SCHEMBL7766488 | 0.60 | HTT (0.35) | CA2 | |
| SCHEMBL31324045 | 0.57 | ALDH1A1 (0.52) | CA1CA2 | |
| SCHEMBL11527828 | 0.56 | NISCH (0.40) | — |
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-101611041-A | Condensed heterocyclic compouds | TAKEDA PHARMACEUTICAL (JP) | 2009-12-23 | — | — | CN | disclosed |