Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | STS | P08842 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1372354 | 1.00 | P2RX3 (0.43) | P2RX3ATMMCL1ALDH1A1NR1H2 | |
| SCHEMBL21409110 | 1.00 | P2RX3 (0.43) | P2RX3ATMMCL1ALDH1A1NR1H2 | |
| SCHEMBL2171522 | 0.89 | CYP2C19 (0.44) | P2RX3MCL1NR1H2NR1H3MEN1 | |
| SCHEMBL27190612 | 0.89 | CYP2C19 (0.44) | P2RX3MCL1NR1H2NR1H3MEN1 | |
| SCHEMBL1371521 | 0.89 | CYP2C19 (0.44) | P2RX3MCL1NR1H2NR1H3MEN1 | |
| SCHEMBL1373084 | 0.89 | NR1H2 (0.48) | MCL1NR1H2NR1H3STS | |
| SCHEMBL21409001 | 0.89 | NR1H2 (0.48) | MCL1NR1H2NR1H3STS | |
| SCHEMBL6183348 | 0.89 | NR1H2 (0.48) | MCL1NR1H2NR1H3STS | |
| SCHEMBL7285245 | 0.89 | NR1H2 (0.48) | MCL1NR1H2NR1H3STS | |
| SCHEMBL13687997 | 0.89 | NR1H2 (0.48) | MCL1NR1H2NR1H3STS |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |