Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3548255 | 0.92 | CYP3A4 (0.50) | CYP3A4POLBALDH1A1HPGDTDP1 | |
| SCHEMBL1021665 | 0.87 | CYP3A4 (0.73) | CYP3A4POLBALDH1A1HPGDTDP1 | |
| SCHEMBL9102591 | 0.80 | CYP3A4 (0.59) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL4881971 | 0.77 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL30438740 | 0.77 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1KDM4E | |
| SCHEMBL1332133 | 0.77 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1KDM4E | |
| SCHEMBL9123451 | 0.76 | APLNR (0.47) | CYP3A4POLBALDH1A1HPGDTDP1 | |
| SCHEMBL15092 | 0.74 | CYP3A4 (1.00) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL4726617 | 0.74 | CYP3A4 (0.68) | CYP3A4POLBALDH1A1HPGDTDP1 | |
| SCHEMBL1535338 | 0.73 | POLB (0.49) | CYP3A4POLBALDH1A1KDM4EMEN1 |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |