Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | HPGDS | O60760 | 3/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.34 |
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 SCHEMBL6170691 | 0.86 | PTPN1 (0.38) | PTPN1ITGB1ITGA4CTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL6164344 | 0.81 | CTSB (0.43) | PTPN1ITGB1ITGA4CTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL6164351 | 0.81 | CTSB (0.43) | PTPN1ITGB1ITGA4CTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL6171542 | 0.76 | PTPN1 (0.35) | PTPN1ITGB1ITGA4CTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL6161741 | 0.76 | HPGDS (0.40) | PTPN1ITGB1CTSBCTSSCTSK | |
| Trifluoroacetic Acid SCHEMBL6173596 | 0.75 | PRSS1 (0.44) | CTSL | |
| Trifluoroacetic Acid SCHEMBL6166758 | 0.74 | CTSB (0.41) | CTSBCTSSCTSKCTSL | |
| Trifluoroacetic Acid SCHEMBL6166754 | 0.74 | CTSB (0.41) | CTSBCTSSCTSKCTSL | |
| Trifluoroacetic Acid SCHEMBL6165425 | 0.71 | CYP3A4 (0.45) | PTPN1ITGB1CTSDHPGDS | |
| Trifluoroacetic Acid SCHEMBL6170992 | 0.70 | ITGB3 (0.40) | — |
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 | disclosed |
| EP-1254136-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG Chem Investment, Ltd. (KR) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001055146-A1 | FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF | LG CHEM INVESTMENT LTD. (KR) | 2001-08-02 | — | — | WO | disclosed |