Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL23459610 | 0.88 | MAPT (0.34) | TSHRMAPT | |
| SCHEMBL23460395 | 0.87 | BAZ2B (0.42) | BAZ2BHTTTSHRNPSR1HPGD | |
| SCHEMBL23485455 | 0.76 | — | — | |
| SCHEMBL23485570 | 0.74 | MAPT (0.35) | TSHRHPGDKDM4EMAPTALDH1A1 | |
| SCHEMBL23485262 | 0.72 | GPR35 (0.34) | — | |
| SCHEMBL23460109 | 0.71 | KDM4E (0.37) | HTTHPGDNCOA1NCOA3KDM4E | |
| SCHEMBL23459678 | 0.71 | — | — | |
| SCHEMBL23529716 | 0.71 | BAZ2B (0.67) | BAZ2BHTTTSHRNPSR1HPGD | |
| Lithium Ion SCHEMBL23459695 | 0.70 | — | — | |
| SCHEMBL23459453 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4069369-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-10-12 | — | — | EP | disclosed |