Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.48 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 4/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30306357 | 1.00 | CYP1A2 (0.49) | CYP1A2CSNK1A1DYRK1BTYRO3IKBKB | |
| SCHEMBL12276902 | 0.88 | IKBKB (0.47) | CYP1A2CSNK1A1DYRK1BTYRO3IKBKB | |
| SCHEMBL30670415 | 0.86 | CYP1A2 (0.50) | CYP1A2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL27029796 | 0.86 | CYP1A2 (0.50) | CYP1A2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL27600087 | 0.83 | IKBKB (0.44) | CYP1A2IKBKBCYP3A4CYP2D6MAPK1 | |
| SCHEMBL27029841 | 0.81 | KMT2A (0.51) | CYP1A2KDM4EALDH1A1 | |
| SCHEMBL12276898 | 0.80 | IKBKB (0.47) | CYP1A2CSNK1A1DYRK1BIKBKBMAPK1 | |
| SCHEMBL31679004 | 0.77 | IKBKB (0.47) | CYP1A2IKBKBRAB9APARP1ROCK2 | |
| SCHEMBL19143038 | 0.75 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL31116679 | 0.75 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6MAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5084457-A | Cognition activators and nervous system disorders | AMERICAN CYANAMID COMPANY (US) | 1992-01-28 | — | — | US | disclosed |