Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6523477 | 1.00 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL764193 | 0.96 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL12791106 | 0.96 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL654999 | 0.96 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL653531 | 0.95 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL27097154 | 0.94 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL266047 | 0.91 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL1189968 | 0.91 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL6524693 | 0.91 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL716733 | 0.89 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2305671-A1 | Thiophene and thiazole derivatives as CHK1 inhibitors | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |