Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371753 | 1.00 | DPP4 (0.44) | DPP4CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL6183345 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL6183348 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL21409001 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL1373084 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL9542940 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL13687997 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL7285245 | 0.89 | NR1H2 (0.48) | NR1H2NR1H3AGTR2MCL1 | |
| SCHEMBL24645661 | 0.88 | NR1H2 (0.43) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL21409205 | 0.88 | NR1H2 (0.43) | CYP1A2POLBCYP3A4CYP2C19MAPT |
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 |