Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8534730 | 0.82 | SMN1; SMN2 (0.49) | EPHX1HSD11B1HTTSMN1; SMN2GAA | |
| SCHEMBL1827279 | 0.82 | EPHX1 (0.64) | EPHX1HTTSMN1; SMN2GAAMAPK1 | |
| SCHEMBL2801497 | 0.80 | EPHX1 (0.67) | EPHX1HTTSMN1; SMN2GAAMAPK1 | |
| SCHEMBL26677284 | 0.79 | EPHX1 (0.59) | EPHX1HTTSMN1; SMN2GAAMAPK1 | |
| SCHEMBL2734467 | 0.78 | HSD11B1 (0.53) | EPHX1HSD11B1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL14424446 | 0.77 | EPHX1 (0.67) | EPHX1HTTSMN1; SMN2GAAMAPK1 | |
| SCHEMBL27147272 | 0.76 | HSD11B1 (0.61) | HSD11B1GAAALDH1A1KMT2ATHRB | |
| SCHEMBL30807383 | 0.76 | HSD11B1 (0.61) | HSD11B1GAAALDH1A1KMT2ATHRB | |
| SCHEMBL27983421 | 0.76 | CA1 (0.51) | HSD11B1HTTALDH1A1CA1CA2 | |
| SCHEMBL16146100 | 0.76 | GAA (0.54) | EPHX1HTTSMN1; SMN2GAAMAPK1 |
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-1732920-A2 | THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS | AstraZeneca AB (SE) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005066163-A2 | THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS | ASTRAZENECA AB (SE) | 2005-07-21 | — | — | WO | disclosed |