Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.33 |
| ▸ | CDK2 | P24941 | 6/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 4/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | TOP2A | P11388 | 2/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1441784 | 0.98 | CHRM3 (0.35) | CHRM3DPP4CCNE1CDK2L3MBTL1 | |
| SCHEMBL954528 | 0.98 | CHRM3 (0.35) | CHRM3DPP4CCNE1CDK2L3MBTL1 | |
| SCHEMBL954529 | 0.98 | CHRM3 (0.35) | CHRM3DPP4CCNE1CDK2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28057619 | 0.97 | DPP4 (0.35) | CHRM3DPP4CCNE1CDK2L3MBTL1 | |
| Bicarbonate SCHEMBL1532914 | 0.95 | CHRM3 (0.36) | CHRM3DPP4CCNE1CDK2L3MBTL1 | |
| Methane SCHEMBL27517655 | 0.90 | CHRM3 (0.41) | CHRM3DPP4CCNE1CDK2GSK3B | |
| SCHEMBL3698542 | 0.89 | SLC6A1 (0.37) | DPP4CCNE1CDK2L3MBTL1GSK3B | |
| SCHEMBL740082 | 0.89 | SLC6A1 (0.37) | DPP4CCNE1CDK2L3MBTL1GSK3B | |
| SCHEMBL17513413 | 0.89 | SLC6A1 (0.37) | DPP4CCNE1CDK2L3MBTL1GSK3B | |
| SCHEMBL854419 | 0.88 | CHRM3 (0.42) | CHRM3DPP4CCNE1CDK2GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102361863-B | Novel bicyclic antibiotics | BASILEA PHARMACEUTICA AG | 2014-12-03 | — | — | CN | disclosed |
| CN-101952295-B | Pyrrolopyrazine kinase inhibitors | HOFFMANN LA ROCHE | 2013-11-20 | — | — | CN | disclosed |