Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 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 | |
|---|---|---|---|---|
| SCHEMBL2096092 | 0.82 | POLB (0.53) | ALDH1A1POLBTDP1L3MBTL1SLC22A12 | |
| SCHEMBL2090485 | 0.76 | CES2 (0.39) | MEN1KMT2A | |
| SCHEMBL31646292 | 0.75 | EPHX2 (0.46) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL3872255 | 0.75 | EPHX2 (0.46) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL11404399 | 0.75 | EPHX2 (0.48) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL7527600 | 0.74 | EPHX2 (0.44) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL7526792 | 0.74 | PTGS2 (0.44) | ALDH1A1POLBTDP1L3MBTL1SLC22A12 | |
| SCHEMBL1847415 | 0.74 | EPHX2 (0.58) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL3080230 | 0.73 | GAA (0.41) | ALDH1A1POLBTDP1L3MBTL1KDM4E | |
| SCHEMBL7601747 | 0.72 | MPL (0.46) | EPHX2CA2ALDH1A1POLBTDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |