Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | F2R | P25116 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.30 |
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 | 0.80 | HPGDS (0.40) | CTRB1 | |
| Trifluoroacetic Acid SCHEMBL6166848 | 0.80 | F2 (0.43) | F2TMPRSS6 | |
| Trifluoroacetic Acid SCHEMBL6165425 | 0.77 | CYP3A4 (0.45) | CYP2C19F2TMPRSS6 | |
| SCHEMBL17992751 | 0.76 | EPHX1 (0.49) | EPHX1SLC7A5ALDH1A1MAPT | |
| SCHEMBL6165038 | 0.71 | HPGDS (0.40) | NOS3NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL13733639 | 0.68 | ADRA2B (0.47) | CTRB1EPHX1CYP2C19OPRK1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7455028 | 0.67 | F10 (0.45) | F2 | |
| Trifluoroacetic Acid SCHEMBL9725813 | 0.67 | CTRB1 (0.45) | CTRB1EPHX1CYP2C19SLC7A5ALDH1A1 | |
| SCHEMBL7064891 | 0.67 | EPHX1 (0.50) | EPHX1SLC7A5OPRK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL4552929 | 0.66 | ATM (0.35) | GRIN1GRIN2BRECQLALDH1A1 |
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 |