Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | 0.81 | DRD2 (0.41) | S1PR1S1PR3S1PR5DRD2DRD3 | |
| SCHEMBL4065590 | 0.81 | HSD11B1 (0.40) | MMP9MMP13ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL4065509 | 0.79 | TSHR (0.34) | DRD2DRD3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4064515 | 0.79 | KDM4E (0.34) | S1PR1S1PR3S1PR5KMT2ACYP2D6 | |
| SCHEMBL2527190 | 0.79 | S1PR1 (0.46) | S1PR1S1PR3S1PR5DRD2DRD3 | |
| SCHEMBL4069282 | 0.77 | CYP3A4 (0.32) | ALDH1A1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL25594232 | 0.76 | CYP2D6 (0.51) | S1PR1S1PR3S1PR5DRD2DRD3 | |
| SCHEMBL4067693 | 0.76 | DRD2 (0.37) | S1PR1S1PR3S1PR5DRD2DRD3 | |
| SCHEMBL23135328 | 0.74 | DRD2 (0.49) | S1PR1S1PR3S1PR5DRD2DRD3 | |
| SCHEMBL4067784 | 0.74 | GRM5 (0.34) | KMT2ACYP1A2 |
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 6 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 | claimed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | claimed |
| EP-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | disclosed |
| 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 |