Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163688 | 0.81 | CTSD (0.47) | CTSDGAAMAPTTSHRMAPK1 | |
| SCHEMBL17133942 | 0.75 | CA1 (0.48) | CTSDMAPTTSHRSTAT3NPC1 | |
| SCHEMBL17133940 | 0.75 | CA1 (0.48) | CTSDMAPTTSHRSTAT3NPC1 | |
| SCHEMBL2120412 | 0.73 | CA1 (0.46) | CTSDMAPTTSHRSTAT3NPC1 | |
| SCHEMBL470307 | 0.73 | CA1 (0.46) | CTSDMAPTTSHRSTAT3NPC1 | |
| SCHEMBL23879961 | 0.73 | GAA (0.61) | CTSDGAAMAPTTSHRSTAT3 | |
| SCHEMBL30210823 | 0.73 | CA1 (0.46) | CTSDMAPTTSHRSTAT3NPC1 | |
| SCHEMBL2775341 | 0.73 | LMNA (0.51) | CTSDHDAC8HDAC1GAASTAT3 | |
| SCHEMBL6671288 | 0.73 | CTSD (0.70) | CTSDGAAMAPTTSHRMAPK1 | |
| SCHEMBL105256 | 0.73 | GAA (0.61) | CTSDGAAMAPTTSHRSTAT3 |
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-2125797-A1 | AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008114157-A1 | AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-09-25 | — | — | WO | disclosed |