Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2830315 | 0.86 | CCR1 (0.42) | S1PR3MEN1KMT2ALMNARAB9A | |
| SCHEMBL2835431 | 0.84 | TDP1 (0.49) | DHODHS1PR3MAPTMEN1KMT2A | |
| SCHEMBL2830330 | 0.80 | S1PR3 (0.54) | S1PR3MAPTLMNARAB9A | |
| SCHEMBL2831010 | 0.78 | S1PR3 (0.53) | PDE10AS1PR3MAPTLMNARAB9A | |
| SCHEMBL2832332 | 0.77 | KIF11 (0.47) | DHODHMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3997120 | 0.75 | S1PR3 (0.44) | DHODHPDE10AMAPK13MAPK12MAPK11 | |
| SCHEMBL9876332 | 0.74 | PTGS2 (0.47) | MAPK13MAPK12MAPK11MAPK14MAPT | |
| SCHEMBL2836985 | 0.73 | GABRA1 (0.44) | DHODHPDE10AMAPK13MAPK12MAPK11 | |
| SCHEMBL5365268 | 0.73 | MAPT (0.51) | MAPTMEN1KMT2ALMNARAB9A | |
| SCHEMBL27320637 | 0.72 | PSMB5 (0.42) | ERN1MEN1KMT2ARAB9AL3MBTL1 |
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-2066633-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008030843-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |