Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.41 |
| ▸ | ITGAV | P06756 | 3/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 4/20 | 0.39 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6161741 | 0.86 | HPGDS (0.40) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6165429 | 0.81 | F2 (0.55) | CYP3A4CYP2C19F2TMPRSS6 | |
| Trifluoroacetic Acid SCHEMBL6170992 | 0.79 | ITGB3 (0.40) | CYP3A4CYP2C19ITGB3ITGAVITGA2B | |
| Trifluoroacetic Acid SCHEMBL6169380 | 0.78 | PRSS1 (0.46) | ITGB3ITGAVF2 | |
| SCHEMBL16886884 | 0.78 | CYP3A4 (0.57) | CYP3A4CYP2C19ITGB3ITGAVITGA2B | |
| SCHEMBL16886887 | 0.78 | CYP3A4 (0.57) | CYP3A4CYP2C19ITGB3ITGAVITGA2B | |
| SCHEMBL5313228 | 0.78 | CYP3A4 (0.57) | CYP3A4CYP2C19ITGB3ITGAVITGA2B | |
| SCHEMBL6165038 | 0.78 | HPGDS (0.40) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6166845 | 0.77 | NOS3 (0.35) | CYP2C19F2TMPRSS6 | |
| Trifluoroacetic Acid SCHEMBL6170691 | 0.77 | PTPN1 (0.38) | CYP3A4CYP2C19ITGB1F2TMPRSS6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1254136-A4 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG CHEM INVESTMENT LTD (KR) | 2005-06-01 | — | — | EP | claimed |
| EP-1254136-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG Chem Investment, Ltd. (KR) | 2002-11-06 | — | — | EP | claimed |
| WO-2001055146-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG CHEM INVESTMENT LTD. (KR) | 2001-08-02 | — | — | WO | claimed |