Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1829584 | 0.93 | BTK (0.67) | BTKGAAEPHX1CA1CA2 | |
| SCHEMBL60196 | 0.91 | GAA (0.68) | BTKGAAEPHX1CA1CA2 | |
| SCHEMBL28804033 | 0.91 | GAA (0.68) | BTKGAAEPHX1CA1CA2 | |
| Ethane SCHEMBL27689700 | 0.89 | GAA (0.66) | BTKGAAEPHX1CA1CA2 | |
| Bicarbonate SCHEMBL1580534 | 0.89 | BTK (0.68) | BTKGAAEPHX1CA1CA2 | |
| SCHEMBL369297 | 0.89 | BTK (0.72) | BTKGAAEPHX1CA1CA2 | |
| Bicarbonate SCHEMBL1457456 | 0.87 | BTK (0.66) | BTKGAAEPHX1CA1CA2 | |
| Methyl Alcohol SCHEMBL9686628 | 0.87 | BTK (0.70) | BTKGAAEPHX1CA1CA2 | |
| Bicarbonate SCHEMBL486564 | 0.85 | BTK (0.73) | BTKGAAEPHX1CA1CA2 | |
| Formaldehyde SCHEMBL28082188 | 0.85 | BTK (0.68) | BTKGAAEPHX1CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739886-B1 | Selective thrombin inhibitors | LG CHEMICAL LTD (KR) | 2003-10-01 | — | — | EP | disclosed |
| US-5985899-A | ANTICOAGULANTS | LG CHEMICAL LTD. (KR) | 1999-11-16 | — | — | US | disclosed |
| US-5977114-A | Selective thrombin inhibitors | LG CHEMICAL LTD. (KR) | 1999-11-02 | — | — | US | disclosed |
| US-5747535-A | AMIDINOPHENYL COMPOUNDS | LG CHEMICAL LTD. (KR) | 1998-05-05 | — | — | US | disclosed |
| WO-1997049673-A1 | SELECTIVE THROMBIN INHIBITORS | LG CHEMICAL LTD. (KR) | 1997-12-31 | — | — | WO | disclosed |