Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 10/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432649 | 0.74 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL5151815 | 0.71 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL31421840 | 0.70 | GAA (0.39) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL9963467 | 0.70 | CYP19A1 (0.35) | ABCB1ABCC1 | |
| SCHEMBL18304159 | 0.70 | PTGS2 (0.39) | ABCB1ABCC1 | |
| SCHEMBL30193006 | 0.68 | AKR1C3 (0.45) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL5153327 | 0.68 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL2430732 | 0.68 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL30216514 | 0.68 | AKR1C3 (0.49) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL7166547 | 0.67 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C1PTGS1 |
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-2547662-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011113309-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-09-22 | — | — | WO | disclosed |