Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26691316 | 0.94 | DYRK1A (0.49) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL5774649 | 0.94 | DYRK1A (0.49) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL8272981 | 0.94 | DYRK1A (0.49) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL25247899 | 0.86 | SLC6A7 (0.42) | SMN1; SMN2LMNAHTTNCOA3DYRK1A | |
| SCHEMBL5778408 | 0.86 | SLC6A7 (0.42) | SMN1; SMN2LMNAHTTNCOA3DYRK1A | |
| SCHEMBL17210377 | 0.80 | ALDH1A1 (0.44) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL17201983 | 0.80 | ALDH1A1 (0.44) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL13402936 | 0.80 | DYRK1A (0.48) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL27268114 | 0.79 | LMNA (0.50) | SMN1; SMN2LMNAHTTNCOA3BCHE | |
| SCHEMBL27998984 | 0.77 | KDM4E (0.36) | SMN1; SMN2LMNAHTTNCOA3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814056-A | Purine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| EP-1644358-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005007648-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |