Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12250799 | 0.80 | NOS3 (0.43) | NOS3NOS1NOS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL17532955 | 0.77 | PGK1 (0.39) | ALDH1A1SMN1; SMN2ALOX15NPSR1MEN1 | |
| SCHEMBL17696428 | 0.77 | ALOX15 (0.33) | NOS3NOS1NOS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL12250800 | 0.77 | S1PR1 (0.38) | NOS3NOS1NOS2SMN1; SMN2S1PR1 | |
| SCHEMBL12240485 | 0.73 | NOS3 (0.42) | NOS3NOS1NOS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL20321338 | 0.71 | NOS3 (0.41) | NOS3NOS1NOS2SMN1; SMN2KMT2A | |
| SCHEMBL19447026 | 0.70 | CRHR1 (0.40) | NOS3NOS1NOS2CRHR1 | |
| SCHEMBL12647715 | 0.69 | NOS3 (0.56) | NOS3NOS1NOS2SMN1; SMN2CCR1 | |
| SCHEMBL21016450 | 0.69 | NOS3 (0.39) | NOS3NOS1NOS2SMN1; SMN2KMT2A | |
| SCHEMBL22564851 | 0.69 | NOS3 (0.39) | NOS3NOS1NOS2ALDH1A1SMN1; SMN2 |
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-2195311-B1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009024905-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-26 | — | — | WO | disclosed |