Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17506467 | 0.86 | SHMT2 (0.46) | NEK2KDM4ECYP2C19L3MBTL1ELANE | |
| SCHEMBL2604305 | 0.76 | BACE1 (0.40) | ELANESHMT2GSK3BNAPRTBACE1 | |
| SCHEMBL4524152 | 0.73 | NEK2 (0.67) | NEK2KDM4ECYP2C19L3MBTL1ELANE | |
| SCHEMBL7735744 | 0.71 | L3MBTL1 (0.49) | KDM4ECYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL788473 | 0.70 | SHMT2 (0.44) | KDM4EELANESHMT2GSK3BNAPRT | |
| SCHEMBL308530 | 0.70 | L3MBTL1 (0.47) | NEK2KDM4ECYP2C19L3MBTL1GSK3B | |
| SCHEMBL4137493 | 0.68 | SHMT2 (0.66) | KDM4ESHMT2GSK3BALDH1A1NAPRT | |
| SCHEMBL2009115 | 0.67 | ELANE (0.46) | ELANEGSK3BALDH1A1 | |
| SCHEMBL2009118 | 0.67 | ELANE (0.46) | ELANEGSK3BALDH1A1 | |
| SCHEMBL17506389 | 0.67 | SHMT2 (0.46) | L3MBTL1ELANESHMT2GSK3BNAPRT |
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-2008070014-A2 | BIARYL KETONE-SUBSTITUTED PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |