Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.31 |
| ▸ | UGT1A1 | P22309 | 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 | |
|---|---|---|---|---|
| SCHEMBL1294692 | 0.81 | ALDH1A1 (0.46) | ALDH1A1TSHRKMT2AGABRA1GABRB2 | |
| SCHEMBL3087350 | 0.80 | L3MBTL1 (0.51) | ALDH1A1HPGDKMT2AL3MBTL1 | |
| SCHEMBL11463688 | 0.77 | L3MBTL1 (0.37) | ALDH1A1HPGDL3MBTL1CA12CA2 | |
| SCHEMBL7533906 | 0.76 | ADRA2B (0.41) | ALDH1A1KMT2AGABRA1GABRB2POLB | |
| SCHEMBL10707848 | 0.75 | ADRA2C (0.42) | ALDH1A1TSHRKMT2AGABRA1GABRB2 | |
| SCHEMBL7401173 | 0.75 | CXCL8 (0.56) | CXCL8AKR1B10UGT1A9TRPA1ABCB11 | |
| SCHEMBL2033783 | 0.73 | CYP3A4 (0.44) | TSHRPOLB | |
| SCHEMBL16868507 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRCXCL8HPGDL3MBTL1 | |
| SCHEMBL11459897 | 0.72 | HSPA5 (0.35) | L3MBTL1CA12CA2CA9MAPT | |
| SCHEMBL227130 | 0.71 | CYP1A2 (0.44) | ALDH1A1TSHRCXCL8HPGDKMT2A |
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 |