Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 3/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637899 | 0.94 | IDH1 (0.32) | S1PR1S1PR5S1PR4RORCTACR1 | |
| SCHEMBL4639054 | 0.88 | ALDH1A1 (0.36) | S1PR1S1PR5S1PR4RORCTACR1 | |
| SCHEMBL4637919 | 0.85 | TACR1 (0.37) | S1PR1S1PR5S1PR4TACR1PPARD | |
| SCHEMBL4638821 | 0.84 | TACR1 (0.32) | RORCTACR1CFTRCYP3A4POLB | |
| SCHEMBL4638616 | 0.84 | CFTR (0.33) | S1PR1S1PR5S1PR4RORCTACR1 | |
| SCHEMBL4638809 | 0.83 | ALDH1A1 (0.36) | S1PR1S1PR5S1PR4RORCPPARD | |
| SCHEMBL4637728 | 0.83 | IDH1 (0.37) | RORCTACR1CFTR | |
| SCHEMBL4637808 | 0.81 | TACR1 (0.39) | TACR1CYP3A4 | |
| SCHEMBL4639496 | 0.81 | CFTR (0.32) | CFTRCYP3A4 | |
| SCHEMBL4637743 | 0.80 | IDH1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |