Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CSF1R | P07333 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18948325 | 0.89 | PTGS2 (0.42) | SMN1; SMN2HPGDCSF1RAOC3PTGS2 | |
| SCHEMBL19446284 | 0.89 | PTGS2 (0.47) | PTGS2CA2LMNAPOLBHTR2A | |
| SCHEMBL27369890 | 0.80 | DHODH (0.37) | SMN1; SMN2HPGDPTGS2DHODHMAPK1 | |
| SCHEMBL15033986 | 0.78 | GRM5 (0.45) | SMN1; SMN2HPGDCSF1RAOC3CA12 | |
| SCHEMBL188641 | 0.76 | HPGD (0.47) | SMN1; SMN2HPGDAOC3CA12CA1 | |
| SCHEMBL12524837 | 0.76 | PTGS2 (0.50) | PTGS2CA2POLBPDE4AHTR2A | |
| SCHEMBL18948326 | 0.76 | PDE4D (0.39) | PDE4APDE4D | |
| SCHEMBL28484662 | 0.76 | HPGD (0.42) | SMN1; SMN2HPGDCSF1RMEN1LMNA | |
| SCHEMBL17776991 | 0.74 | KDM4E (0.40) | HPGDCSF1RMAPK1LMNACYP3A4 | |
| SCHEMBL19355761 | 0.74 | FPR2 (0.42) | HPGDPTGS2MEN1KMT2AALDH1A1 |
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-2516417-B1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMA (US) | 2017-10-11 | — | — | EP | disclosed |