Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 6/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23459611 | 0.88 | CDC7 (0.41) | CDC7DBF4MAPTKDM4ECYP1A2 | |
| Lithium Ion SCHEMBL23459485 | 0.87 | KDM4E (0.31) | MAPK14MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL23460109 | 0.85 | KDM4E (0.37) | CDC7DBF4MAPTKDM4EADORA3 | |
| SCHEMBL23485262 | 0.73 | GPR35 (0.34) | — | |
| SCHEMBL23485549 | 0.70 | GPR35 (0.32) | CHEK1IKBKETBK1 | |
| SCHEMBL30826320 | 0.69 | KDM4E (0.54) | MAPK14MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL12107472 | 0.67 | XDH (0.42) | CDC7DBF4MAPK14MAPTKDM4E | |
| SCHEMBL23459678 | 0.60 | — | — | |
| SCHEMBL23459453 | 0.59 | — | — | |
| Lithium Ion SCHEMBL23459695 | 0.59 | — | — |
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-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | WO | disclosed |