Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.61 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.61 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.61 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.46 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.46 |
| ▸ | GPR183 | P32249 | 1/20 | 0.46 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
| ▸ | PRKCB | P05771 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | PRKCH | P24723 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | PRKCE | Q02156 | 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 | |
|---|---|---|---|---|
| SCHEMBL14206700 | 1.00 | S1PR1 (0.61) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206859 | 1.00 | S1PR1 (0.61) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206701 | 1.00 | S1PR1 (0.61) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2811629 | 0.93 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2806405 | 0.93 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2804920 | 0.93 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL2808628 | 0.93 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206696 | 0.89 | S1PR1 (0.66) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL14206695 | 0.89 | S1PR1 (0.66) | S1PR1S1PR3S1PR4S1PR5CYP3A4 | |
| SCHEMBL12749346 | 0.86 | S1PR1 (0.63) | S1PR1S1PR3S1PR4S1PR5CYP3A4 |
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-2008064337-A2 | BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-05-29 | — | — | WO | disclosed |