Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8982347 | 0.78 | CYP2A6 (0.57) | CYP2A6GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10244532 | 0.78 | CYP2A6 (0.57) | CYP2A6GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5086334 | 0.76 | ADRA2C (0.41) | CYP2A6GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL13266542 | 0.76 | GABRG2 (0.49) | CYP2A6GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL866909 | 0.76 | TP53 (0.44) | CYP2A6 | |
| SCHEMBL126485 | 0.71 | CYP2A6 (0.56) | CYP2A6CTSSCTSK | |
| SCHEMBL620686 | 0.71 | CLK4 (0.47) | GABRG2GABRB3GABRA5GABRA3CLK4 | |
| SCHEMBL10264849 | 0.71 | CYP11B1 (0.60) | GABRG2GABRB3GABRA5GABRA3CLK4 | |
| SCHEMBL7372763 | 0.71 | CLK4 (0.41) | GABRG2GABRB3GABRA5GABRA3CLK4 | |
| SCHEMBL18486998 | 0.70 | CLK4 (0.63) | GABRG2GABRB3GABRA5GABRA3CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509978-A1 | AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE | E.I. Du Pont De Nemours And Company (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072207-A1 | AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-16 | — | — | WO | disclosed |