Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1964539 | 0.83 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL29393582 | 0.79 | MEN1 (0.57) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL9517127 | 0.79 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL77110 | 0.79 | MEN1 (0.57) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL10913869 | 0.78 | TTR (0.52) | CYP3A4TSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL30389878 | 0.78 | TTR (0.52) | CYP3A4TSHRALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL6235400 | 0.77 | MEN1 (0.55) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL42626 | 0.77 | CYP3A4 (0.50) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL4962861 | 0.76 | TTR (0.60) | CYP3A4TSHRALDH1A1HPGDGAA | |
| SCHEMBL3802892 | 0.76 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984331-B1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORP (US) | 2010-10-20 | — | — | EP | disclosed |