Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.38 |
| ▸ | PNMT | P11086 | 4/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14672729 | 0.87 | NEK1 (0.57) | NEK1 | |
| Hydrochloric Acid SCHEMBL2571837 | 0.75 | TNKS (0.50) | TNKSTNKS2KDM4ECYP1A2PPARG | |
| SCHEMBL2544993 | 0.74 | TNKS (0.47) | TNKSTNKS2KDM4ECYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15092541 | 0.73 | TNKS (0.46) | TNKSTNKS2KDM4ECYP1A2SMN1; SMN2 | |
| SCHEMBL25404459 | 0.69 | CD274 (0.51) | CD274PNMTASIC3SYKCD44 | |
| SCHEMBL31083759 | 0.69 | CD274 (0.51) | CD274PNMTASIC3SYKCD44 | |
| SCHEMBL12279603 | 0.69 | NEK1 (1.00) | NEK1 | |
| Hydrochloric Acid SCHEMBL15092099 | 0.68 | NEK1 (0.98) | NEK1 | |
| Hydrochloric Acid SCHEMBL15092417 | 0.66 | NEK1 (0.73) | NEK1 | |
| SCHEMBL25401778 | 0.66 | CD274 (0.52) | CD274PNMTASIC3CD44MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |