Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | VCP | P55072 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21094102 | 0.91 | KIF11 (0.38) | KIF11PIN1TRPM8CNR2CA1 | |
| SCHEMBL21094089 | 0.89 | CNR2 (0.38) | KIF11PIN1TRPM8CNR2CA1 | |
| SCHEMBL21093657 | 0.87 | CA1 (0.43) | KIF11TRPM8CNR2CA1CA2 | |
| SCHEMBL21094393 | 0.86 | NPC1 (0.40) | TRPM8CA1CA2VCPCHRNB4 | |
| SCHEMBL21093661 | 0.85 | SLC6A3 (0.39) | KIF11TRPM8CNR2CA1CA2 | |
| SCHEMBL21094093 | 0.84 | MAPT (0.39) | KIF11TRPM8ORAI1BRD4MAPT | |
| SCHEMBL21094103 | 0.82 | CTPS1 (0.41) | CNR2CA1CA2 | |
| SCHEMBL21094397 | 0.75 | NPC1 (0.39) | TRPM8CA1CA2CHRNB4CHRNA3 | |
| SCHEMBL2586557 | 0.75 | TRPM8 (0.46) | KIF11TRPM8SLC6A3MAPT | |
| SCHEMBL4501763 | 0.74 | KIF11 (0.44) | KIF11PIN1CNR2CA1CA2 |
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-2019112024-A1 | PYRROLIDINE COMPOUND | キッセイ薬品工業株式会社 | 2019-06-13 | — | — | WO | disclosed |