Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 SCHEMBL6164502 | 0.92 | TRPV1 (0.44) | TRPV1DHODHPORCNCNR1CREBBP | |
| Fluoroacetate SCHEMBL6182223 | 0.84 | F10 (0.46) | TRPV1DHODHCNR1CREBBP | |
| Trifluoroacetic Acid SCHEMBL6164497 | 0.77 | F10 (0.54) | TRPV1 | |
| SCHEMBL6171566 | 0.77 | GRM4 (0.54) | TRPV1DHODHCNR1CREBBP | |
| Trifluoroacetic Acid SCHEMBL7101440 | 0.76 | F10 (0.54) | — | |
| Trifluoroacetic Acid SCHEMBL6238659 | 0.75 | DHODH (0.39) | DHODHNR4A2 | |
| Fluoroacetate SCHEMBL6182226 | 0.74 | HDAC3 (0.35) | DHODH | |
| Trifluoroacetic Acid SCHEMBL6161749 | 0.70 | F10 (0.47) | — | |
| SCHEMBL18573213 | 0.64 | TRPV1 (0.71) | TRPV1CNR1PTPN2PTPN1 | |
| SCHEMBL7950222 | 0.64 | CA12 (0.59) | CYP2C9 |
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 |