Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.48 |
| ▸ | DRD3 | P35462 | 6/20 | 0.48 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | EED | O75530 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631358 | 0.85 | DRD2 (0.50) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL13999717 | 0.85 | DRD2 (0.50) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL1202387 | 0.82 | DPP4 (0.61) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL1202390 | 0.82 | DPP4 (0.61) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL1202820 | 0.81 | DRD2 (0.47) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL1202818 | 0.80 | HTR2A (0.54) | DRD2DRD3FUCA1DPP4LMNA | |
| SCHEMBL13041176 | 0.79 | S1PR5 (0.49) | DRD2DRD3FUCA1POLBRORC | |
| SCHEMBL1897605 | 0.79 | S1PR5 (0.49) | DRD2DRD3FUCA1POLBRORC | |
| SCHEMBL1203779 | 0.77 | DRD2 (0.43) | DRD2DRD3FUCA1DPP4EED | |
| SCHEMBL1203778 | 0.77 | DRD2 (0.43) | DRD2DRD3FUCA1DPP4EED |
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-2148857-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008128891-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |