Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL22548597 | 0.83 | PTGS2 (0.46) | PTGS2ALPLPIK3CDPIK3R1PIK3CA | |
| SCHEMBL31535985 | 0.81 | PTGS2 (0.40) | PTGS2ALPLALDH1A1PIK3CDPIK3R1 | |
| SCHEMBL11918252 | 0.80 | TSHR (0.43) | PTGS2MAPTTSHRGLAALPL | |
| SCHEMBL9955416 | 0.78 | TSHR (0.40) | MAPTTSHRGLAALPLALDH1A1 | |
| SCHEMBL10141687 | 0.76 | TSHR (0.37) | MAPTTSHRGLAALPLALDH1A1 | |
| SCHEMBL14247505 | 0.75 | TSHR (0.36) | MAPTTSHRGLARXFP1ALDH1A1 | |
| SCHEMBL20234028 | 0.70 | PIK3CD (0.50) | PTGS2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL9954021 | 0.70 | MAPT (0.43) | MAPTTSHRALDH1A1NPC1RAB9A | |
| SCHEMBL9954248 | 0.70 | ALPL (0.54) | MAPTTSHRGLAALPL | |
| SCHEMBL12524837 | 0.70 | PTGS2 (0.50) | PTGS2PIK3CDNPC1RAB9APIK3CA |
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 |