Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11889718 | 0.93 | DRD2 (0.41) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL11889891 | 0.86 | CYP1A2 (0.41) | DRD2CYP1A2CYP2D6KDM1AMAOB | |
| SCHEMBL345594 | 0.80 | CCR5 (0.41) | DRD2DRD3CYP1A2CYP2D6 | |
| SCHEMBL4068290 | 0.78 | L3MBTL3 (0.36) | DRD2CYP1A2 | |
| SCHEMBL347550 | 0.78 | TSHR (0.47) | DRD2DRD3GNAO1S1PR1S1PR3 | |
| SCHEMBL4064598 | 0.76 | USP2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL346005 | 0.76 | TSHR (0.50) | DRD2DRD3GNAO1S1PR1S1PR3 | |
| SCHEMBL4069612 | 0.76 | S1PR1 (0.43) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL347439 | 0.75 | TLR8 (0.45) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL345595 | 0.73 | CCR5 (0.35) | DRD2DRD3CYP1A2 |
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 |