Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29541267 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL703276 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL77114 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTDP1MAPT | |
| SCHEMBL29471398 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTDP1MAPT | |
| SCHEMBL8943270 | 0.85 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1CYP1A2 | |
| SCHEMBL8942826 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL11194657 | 0.83 | ALDH1A1 (0.69) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL374346 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL29538723 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 | |
| SCHEMBL14895167 | 0.79 | CYP3A4 (0.77) | ALDH1A1CYP3A4HPGDTDP1CYP1B1 |
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 2 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 |