Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 9/20 | 0.47 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 2/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.42 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 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 | |
|---|---|---|---|---|
| SCHEMBL575316 | 0.91 | CYP3A4 (0.48) | LPAR3LPAR2LPAR1CYP3A4AKT1 | |
| SCHEMBL575301 | 0.83 | MEN1 (0.33) | CYP3A4NAAATSHR | |
| SCHEMBL777706 | 0.82 | LPAR3 (0.46) | LPAR3LPAR2LPAR1CYP3A4AKT1 | |
| SCHEMBL575628 | 0.81 | MEN1 (0.34) | CYP3A4TSHR | |
| SCHEMBL777707 | 0.79 | LPAR3 (0.52) | LPAR3LPAR2LPAR1CYP3A4AKT1 | |
| SCHEMBL778740 | 0.77 | CYP3A4 (0.48) | LPAR3LPAR2LPAR1CYP3A4AKT1 | |
| SCHEMBL575498 | 0.75 | MMP1 (0.42) | ALDH1A1TDP1TSHR | |
| SCHEMBL4276900 | 0.75 | MMP1 (0.42) | ALDH1A1TDP1TSHR | |
| SCHEMBL575133 | 0.75 | CYP3A4 (0.47) | LPAR3LPAR2LPAR1CYP3A4AKT1 | |
| SCHEMBL29210835 | 0.75 | AKT1 (0.51) | LPAR3LPAR2LPAR1CYP3A4AKT1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003020843-A1 | COMPOSITION COMPRISING PHOSPHONIUM SALTS AND THEIR USE | CYTEC CANADA INC. (CA) | 2003-03-13 | — | — | WO | claimed |
| EP-1423352-A1 | NITRATION OF AROMATIC COMPOUNDS | Cytec Canada Inc. (CA) | 2004-06-02 | — | — | EP | disclosed |
| EP-1373280-A1 | PHOSPHONIUM PHOSPHINATE COMPOUNDS AND THEIR PREPARATION | Cytec Canada Inc. (CA) | 2004-01-02 | — | — | EP | disclosed |
| WO-2003020683-A1 | NITRATION OF AROMATIC COMPOUNDS | CYTEC CANADA INC. (CA) | 2003-03-13 | — | — | WO | disclosed |
| WO-2003020843-A1 | COMPOSITION COMPRISING PHOSPHONIUM SALTS AND THEIR USE | CYTEC CANADA INC. (CA) | 2003-03-13 | — | — | WO | disclosed |
| WO-2002079212-A1 | PHOSPHONIUM PHOSPHINATE COMPOUNDS AND THEIR PREPARATION | CYTEC CANADA INC. (CA) | 2002-10-10 | — | — | WO | disclosed |