Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL3 | Q96JM7 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL4067285 | 0.92 | CHRM2 (0.36) | HRH3CHRM2CHRM1CHRM3CTSB | |
| SCHEMBL11889891 | 0.91 | CYP1A2 (0.41) | CYP1A2GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL4658596 | 0.84 | CHRM2 (0.33) | L3MBTL3L3MBTL1HRH3CHRM2CHRM1 | |
| SCHEMBL4046200 | 0.82 | L3MBTL3 (0.33) | L3MBTL3L3MBTL1CHRM2CHRM1CHRM3 | |
| SCHEMBL4064598 | 0.80 | USP2 (0.33) | CHRM2CHRM1CHRM3CTSK | |
| SCHEMBL346048 | 0.79 | GPR119 (0.39) | L3MBTL3L3MBTL1CYP1A2HRH3 | |
| SCHEMBL4067693 | 0.78 | DRD2 (0.37) | CYP1A2DRD2 | |
| SCHEMBL27162932 | 0.77 | GPR119 (0.43) | HRH3 | |
| SCHEMBL106664 | 0.75 | USP2 (0.34) | CTSK | |
| SCHEMBL345984 | 0.75 | CYP2D6 (0.46) | L3MBTL3L3MBTL1CYP1A2HRH3DRD2 |
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-2032535-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | Sanofi-Aventis (FR) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | disclosed |