Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 3/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171571 | 0.77 | GRM5 (0.43) | KDM1APARP1DHODHPARP2 | |
| Trifluoroacetic Acid SCHEMBL6164502 | 0.67 | TRPV1 (0.44) | DHODHF2F10 | |
| SCHEMBL3814048 | 0.63 | CA12 (0.59) | HDAC3HDAC1HDAC2CA12CA1 | |
| SCHEMBL3814046 | 0.63 | CA12 (0.59) | HDAC3HDAC1HDAC2CA12CA1 | |
| SCHEMBL7950222 | 0.63 | CA12 (0.59) | HDAC3HDAC1HDAC2CA12CA1 | |
| Hydrochloric Acid SCHEMBL9769062 | 0.62 | CA12 (0.58) | HDAC3HDAC1HDAC2CA12CA1 | |
| SCHEMBL6168451 | 0.61 | CYP11B2 (0.43) | KDM1A | |
| Cyanide SCHEMBL22130168 | 0.60 | CA12 (0.56) | HDAC3HDAC1HDAC2CA12CA1 | |
| SCHEMBL25398509 | 0.59 | TLR4 (0.55) | CA12CA1CA2CA9KDM1A | |
| SCHEMBL30036208 | 0.59 | CHEK2 (0.57) | SYKKDM1APARP1DHODHCHEK2 |
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 |