Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 2/20 | 0.40 |
| ▸ | PLD2 | O14939 | 1/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | UGCG | Q16739 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14164982 | 0.82 | CHRNB2 (0.48) | PLD1PLD2BIRC2HRH4CYP3A4 | |
| SCHEMBL26814687 | 0.82 | CHRNB2 (0.48) | PLD1PLD2BIRC2HRH4CYP3A4 | |
| SCHEMBL14165240 | 0.82 | CHRNB2 (0.48) | PLD1PLD2BIRC2HRH4CYP3A4 | |
| SCHEMBL30232419 | 0.80 | HPGD (0.44) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL4975517 | 0.78 | PLD1 (0.37) | PLD1PLD2BIRC2HRH4CYP3A4 | |
| SCHEMBL14397191 | 0.77 | BIRC2 (0.43) | PLD1PLD2BIRC2HRH4CYP3A4 | |
| SCHEMBL19284233 | 0.75 | BIRC2 (0.44) | PLD1PLD2BIRC2HRH4TP53 | |
| SCHEMBL28829771 | 0.75 | BIRC2 (0.44) | PLD1PLD2BIRC2HRH4TP53 | |
| SCHEMBL16501762 | 0.75 | BIRC2 (0.44) | PLD1PLD2BIRC2HRH4TP53 | |
| Tert-Butyl Formate SCHEMBL28876717 | 0.75 | PLD1 (0.38) | PLD1PLD2BIRC2HRH4CYP3A4 |
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-2398780-B1 | CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR | ASTRAZENECA AB (SE) | 2013-04-17 | — | — | EP | disclosed |