Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.42 |
| ▸ | HTR3B | O95264 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12145921 | 0.87 | CHRNB2 (0.58) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL29978671 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL28343784 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL20249236 | 0.82 | CHRNB2 (0.62) | CHRNB2CHRNA4ADRB1HTR3AHTR6 | |
| SCHEMBL31774414 | 0.81 | CHRNB2 (0.58) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL382350 | 0.81 | CHRNB2 (0.58) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL382186 | 0.79 | CHRNB2 (0.57) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL1992377 | 0.75 | CHRNB2 (0.64) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL3917325 | 0.75 | CHRNB2 (0.64) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL20255149 | 0.74 | CHRNB2 (0.44) | CHRNB2CHRNA4CDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |