Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.48 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 3/20 | 0.43 |
| ▸ | BCKDK | O14874 | 2/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15697576 | 0.83 | HDAC3 (0.49) | NOTUMCCNCCDK8DAOBCKDK | |
| SCHEMBL30714157 | 0.80 | GPR35 (0.42) | NOTUMCCNCCDK8DAOBCL2L1 | |
| SCHEMBL26111219 | 0.80 | GPR35 (0.42) | NOTUMCCNCCDK8DAOBCL2L1 | |
| SCHEMBL4805937 | 0.80 | STING1 (0.43) | CCNCCDK8BCL2L1GPR35PLK4 | |
| SCHEMBL18264006 | 0.79 | HDAC3 (0.43) | RXFP1HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL2893037 | 0.77 | SLC9A1 (0.62) | NOTUMBCL2L1GPR35PLK4AURKA | |
| SCHEMBL17858538 | 0.73 | CHRNA7 (0.49) | NOTUMDAOBCKDKBCL2L1GPR35 | |
| SCHEMBL9262314 | 0.73 | ALDH1A1 (0.46) | NOTUMCCNCCDK8DAOBCKDK | |
| SCHEMBL1853420 | 0.73 | DAO (0.46) | NOTUMCCNCCDK8DAOBCKDK | |
| SCHEMBL18264120 | 0.73 | DAO (0.46) | NOTUMCCNCCDK8DAOBCKDK |
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-2016191366-A1 | MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-12-01 | — | — | WO | disclosed |