Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL337111 | 1.00 | S1PR3 (0.50) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL337803 | 0.84 | S1PR3 (0.49) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL337802 | 0.84 | S1PR3 (0.49) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL290260 | 0.83 | S1PR3 (0.53) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL802961 | 0.81 | S1PR3 (0.57) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL337112 | 0.81 | S1PR3 (0.57) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL337035 | 0.80 | S1PR3 (0.63) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL291421 | 0.78 | S1PR3 (0.65) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL336878 | 0.77 | S1PR3 (0.64) | S1PR3MAPTPKMALDH1A1GAA | |
| SCHEMBL10074903 | 0.76 | S1PR3 (0.54) | S1PR3MAPTPKMALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007112322-A2 | INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2007-10-04 | — | — | WO | claimed |