Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370549 | 0.94 | EPHX1 (0.55) | PARP10ALOX5EPHX1CA1CA2 | |
| SCHEMBL2055565 | 0.94 | EPHX1 (0.55) | PARP10ALOX5EPHX1CA1CA2 | |
| SCHEMBL2173030 | 0.86 | PARP10 (0.55) | PARP10ALOX5EPHX1MEN1KMT2A | |
| SCHEMBL2172240 | 0.86 | EPHX1 (0.50) | PARP10ALOX5EPHX1PARP4KMT2A | |
| SCHEMBL456155 | 0.85 | ACACB (0.60) | PARP10ALOX5EPHX1CA1CA2 | |
| SCHEMBL2171656 | 0.84 | EPHX1 (0.49) | PARP10EPHX1PARP4KMT2APTGS2 | |
| SCHEMBL2170990 | 0.84 | EPHX1 (0.49) | EPHX1 | |
| SCHEMBL263373 | 0.79 | PTGS2 (0.73) | ALOX5CA1CA2MAPTPTGS2 | |
| SCHEMBL1478228 | 0.79 | PTGS2 (0.73) | ALOX5CA1CA2MAPTPTGS2 | |
| SCHEMBL30760568 | 0.79 | PTGS2 (0.73) | ALOX5CA1CA2MAPTPTGS2 |
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 |