Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 7/20 | 0.32 |
| ▸ | CES1 | P23141 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GGPS1 | O95749 | 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 | |
|---|---|---|---|---|
| SCHEMBL6280317 | 1.00 | SMPD1 (0.38) | SMPD1FDPSCES2LPAR1LPAR3 | |
| SCHEMBL7179149 | 1.00 | SMPD1 (0.38) | SMPD1FDPSCES2LPAR1LPAR3 | |
| SCHEMBL6277835 | 0.98 | SMPD1 (0.39) | SMPD1FDPSCES2LPAR1LPAR3 | |
| SCHEMBL6282230 | 0.91 | FDPS (0.34) | FDPS | |
| SCHEMBL6281815 | 0.82 | SMPD1 (0.43) | SMPD1FDPSCES2LPAR1LPAR3 | |
| Octane SCHEMBL15156216 | 0.82 | TSHR (0.50) | CES2LPAR1LPAR3TSHRTHRB | |
| Perflenapent SCHEMBL8935098 | 0.82 | TSHR (0.50) | CES2LPAR1LPAR3TSHRTHRB | |
| Perflenapent SCHEMBL8935092 | 0.79 | TSHR (0.44) | CES2LPAR1LPAR3TSHRTHRB | |
| Perflexane SCHEMBL17714361 | 0.79 | TSHR (0.44) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL23560381 | 0.78 | CES2 (0.41) | FDPSCES2LPAR1LPAR3TSHR |
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-1349653-A2 | FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002036639-A2 | FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-05-10 | — | — | WO | disclosed |