Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT2 | O75908 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 5/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL517662 | 0.84 | SOAT2 (0.40) | SOAT2SOAT1FASNFAAHEPHX2 | |
| Styrene SCHEMBL15649632 | 0.83 | TSHR (0.47) | SOAT2SOAT1FASNFAAHEPHX2 | |
| Toluene SCHEMBL11011055 | 0.82 | TSHR (0.61) | SOAT2SOAT1FAAHEPHX2TSHR | |
| Toluene SCHEMBL11023406 | 0.82 | TSHR (0.61) | SOAT2SOAT1FAAHEPHX2TSHR | |
| Toluene SCHEMBL782975 | 0.82 | TSHR (0.61) | SOAT2SOAT1FAAHEPHX2TSHR | |
| Heptane SCHEMBL6130166 | 0.82 | TSHR (0.61) | SOAT2SOAT1FAAHEPHX2TSHR | |
| Toluene SCHEMBL8147547 | 0.82 | TSHR (0.61) | SOAT2SOAT1FAAHEPHX2TSHR | |
| SCHEMBL217258 | 0.82 | TSHR (0.56) | FASNFAAHTSHRALDH1A1 | |
| SCHEMBL22468755 | 0.82 | TSHR (0.56) | FASNFAAHTSHRALDH1A1 | |
| SCHEMBL22468753 | 0.82 | TSHR (0.56) | FASNFAAHTSHRALDH1A1 |
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-0717754-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995004087-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1995-02-09 | — | — | WO | disclosed |