Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 6/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 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 SCHEMBL6170927 | 0.86 | MME (0.39) | PTPN1CTSSCTSKITGB1ITGA4 | |
| Trifluoroacetic Acid SCHEMBL6166279 | 0.81 | PTPN1 (0.35) | PTPN1ITGB1ITGA4MMECTSD | |
| Trifluoroacetic Acid SCHEMBL6166478 | 0.80 | PTPN1 (0.34) | PTPN1ITGB1ITGA4MMECTSD | |
| Trifluoroacetic Acid SCHEMBL6172396 | 0.79 | F2 (0.51) | PTPN1CTSSCTSKCTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL6164495 | 0.78 | ITGB1 (0.34) | PTPN1ITGB1ITGA4ADAM17KLKB1 | |
| Trifluoroacetic Acid SCHEMBL6166166 | 0.77 | PTPN1 (0.33) | PTPN1ITGB1ITGA4MMECTSD | |
| Trifluoroacetic Acid SCHEMBL6163538 | 0.76 | PSEN1 (0.34) | PTPN1ITGB1ITGA4ADAM17MME | |
| Trifluoroacetic Acid SCHEMBL6165577 | 0.76 | PSEN1 (0.34) | PTPN1ITGB1ITGA4MMECTSD | |
| Trifluoroacetic Acid SCHEMBL6170713 | 0.72 | F2 (0.43) | PTPN1CTSSCTSKCTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL6165443 | 0.72 | DHODH (0.34) | PTPN1ITGB1ITGA4CTSDBACE1 |
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 |