Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.32 |
| ▸ | TYK2 | P29597 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13905150 | 0.81 | GSK3B (0.46) | GSK3BTSHRJAK2TYK2 | |
| SCHEMBL4045594 | 0.80 | PTPN2 (0.44) | HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL19597568 | 0.71 | ATR (0.44) | NEK2ATRALDH1A1NPC1RAB9A | |
| SCHEMBL5494591 | 0.68 | HDAC3 (0.36) | TSHRALDH1A1PIM1PIM3PIM2 | |
| SCHEMBL29085989 | 0.67 | DEGS1 (0.60) | NPC1RAB9A | |
| SCHEMBL29200836 | 0.67 | L3MBTL1 (0.41) | ATRALDH1A1 | |
| SCHEMBL15797955 | 0.66 | CA12 (0.33) | ALDH1A1 | |
| SCHEMBL2590028 | 0.65 | HDAC2 (0.51) | TSHRHDAC3HDAC1HDAC2 | |
| SCHEMBL18138923 | 0.65 | GSK3B (0.39) | GSK3BHDAC3HDAC1HDAC2 | |
| SCHEMBL2595612 | 0.65 | GAA (0.50) | TSHRHDAC3HDAC1HDAC2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009016046-A2 | SUNLESS TANNING COMPOSITIONS COMPRISING SUBSTITUTED POLYAMINE COMPOUNDS | BASF SE (CH) | 2009-02-05 | — | — | WO | disclosed |