Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28689445 | 0.87 | ALDH1A1 (0.48) | ALDH1A1NOS3NOS2LMNAKDM4E | |
| SCHEMBL25176208 | 0.82 | DYRK1A (0.43) | ALDH1A1CRHR1LMNAPRNPKDM4E | |
| SCHEMBL7231586 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CRHR1LMNAKDM4EHPGD | |
| SCHEMBL12250781 | 0.79 | NOS3 (0.44) | ALDH1A1CRHR1NOS3NOS2LMNA | |
| SCHEMBL17682696 | 0.78 | DYRK1A (0.51) | ALDH1A1CRHR1LMNAKDM4EHPGD | |
| SCHEMBL21117205 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CRHR1NOS3NOS2LMNA | |
| SCHEMBL7228698 | 0.76 | KDM4E (0.42) | ALDH1A1LMNAPRNPKDM4EHPGD | |
| SCHEMBL26027553 | 0.76 | CYP1A2 (0.45) | ALDH1A1KDM4EHPGDTDP1L3MBTL1 | |
| SCHEMBL12593665 | 0.75 | EDNRB (0.45) | ALDH1A1CRHR1NOS3NOS2LMNA | |
| SCHEMBL18576454 | 0.75 | ALDH1A1 (0.36) | ALDH1A1NOS3NOS2TDP1L3MBTL1 |
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 |