Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL8200238 | 0.86 | PLG (0.40) | CYP17A1PLGNOS1NOS3NOS2 | |
| SCHEMBL8218500 | 0.81 | CYP17A1 (0.36) | CYP17A1PLGNOS1NOS3NOS2 | |
| SCHEMBL7978140 | 0.76 | CYP17A1 (0.43) | CYP17A1PLGIKBKETBK1NPC1 | |
| SCHEMBL8195014 | 0.74 | HTT (0.54) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL504667 | 0.74 | PLG (0.44) | PLGNOS1NOS3NOS2 | |
| SCHEMBL504588 | 0.74 | PLG (0.44) | PLGNOS1NOS3NOS2 | |
| SCHEMBL7966282 | 0.73 | GAA (0.43) | ALDH1A1RAB9A | |
| SCHEMBL9299302 | 0.72 | PLG (0.42) | PLGNOS1NOS3NOS2 | |
| SCHEMBL504564 | 0.71 | PLG (0.41) | PLGNOS1NOS3NOS2 | |
| SCHEMBL8200235 | 0.71 | CYP17A1 (0.46) | CYP17A1RAB9A |
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-2000061561-A1 | CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | claimed |
| WO-2000061559-A1 | N-SUBSTITUTED CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | disclosed |