Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.54 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.54 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.54 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 3/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4981969 | 0.88 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5PDK1 | |
| SCHEMBL4981985 | 0.88 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5PDK1 | |
| SCHEMBL14456427 | 0.78 | LTA4H (0.60) | NR1H4MRGPRX4HDAC4F10SMPD1 | |
| SCHEMBL4766898 | 0.77 | LTA4H (0.50) | NR1H4MRGPRX4HDAC4DHODHF10 | |
| SCHEMBL4979844 | 0.77 | S1PR1 (0.74) | S1PR1S1PR3S1PR4S1PR5RAB9A | |
| SCHEMBL4979834 | 0.77 | S1PR1 (0.74) | S1PR1S1PR3S1PR4S1PR5RAB9A | |
| SCHEMBL4983130 | 0.77 | DHODH (0.54) | S1PR1S1PR3S1PR4S1PR5DHODH | |
| SCHEMBL4983141 | 0.77 | DHODH (0.54) | S1PR1S1PR3S1PR4S1PR5DHODH | |
| SCHEMBL4983885 | 0.76 | PDK1 (0.56) | S1PR1S1PR3S1PR4S1PR5PDK1 | |
| SCHEMBL4983899 | 0.76 | PDK1 (0.56) | S1PR1S1PR3S1PR4S1PR5PDK1 |
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-1981837-A2 | METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY | Praecis Pharmaceuticals Incorporated (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007092190-A2 | METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY | PRAECIS PHARMACEUTICALS, INC. (US) | 2007-08-16 | — | — | WO | disclosed |