Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.51 |
| ▸ | CCR2 | P41597 | 5/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3024792 | 1.00 | ROCK2 (0.51) | ROCK2CCR2ROCK1L3MBTL1DPP4 | |
| SCHEMBL3024088 | 0.83 | ROCK2 (0.39) | ROCK2CCR2ROCK1L3MBTL1DPP4 | |
| SCHEMBL3032958 | 0.82 | ALDH1A1 (0.40) | ROCK2CCR2ROCK1L3MBTL1DPP4 | |
| SCHEMBL5140554 | 0.80 | ROCK2 (0.50) | ROCK2CCR2ROCK1ACHE | |
| SCHEMBL5027678 | 0.79 | CYP2D6 (0.41) | ROCK2CCR2ROCK1DPP4ACHE | |
| SCHEMBL3033895 | 0.79 | CYP2D6 (0.41) | ROCK2CCR2ROCK1DPP4ACHE | |
| SCHEMBL5031248 | 0.77 | PGR (0.44) | ROCK2CCR2ROCK1DPP4DRD4 | |
| SCHEMBL3029883 | 0.76 | PGR (0.53) | ROCK2CCR2ROCK1L3MBTL1DPP4 | |
| SCHEMBL3034358 | 0.75 | PGR (0.64) | — | |
| SCHEMBL3024142 | 0.74 | PGR (0.51) | DPP4HDAC8HDAC6 |
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-1954133-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007065093-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-07 | — | — | WO | disclosed |