Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 7/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 2/20 | 0.31 |
| ▸ | ALPG | P10696 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALPI | P09923 | 1/20 | 0.31 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.31 |
| ▸ | CCKBR | P32239 | 2/20 | 0.31 |
| ▸ | CCKAR | P32238 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10185959 | 0.91 | IDH1 (0.52) | IDH1OPRM1OPRK1OPRL1CCKBR | |
| SCHEMBL10185987 | 0.91 | IDH1 (0.42) | IDH1OPRM1OPRK1OPRL1KDM4E | |
| SCHEMBL10183799 | 0.91 | IDH1 (0.42) | IDH1OPRM1OPRK1OPRL1KDM4E | |
| SCHEMBL10185834 | 0.88 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1KDM4E | |
| SCHEMBL10185988 | 0.87 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1TSHR | |
| SCHEMBL10183771 | 0.86 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1CCKBR | |
| SCHEMBL10183793 | 0.85 | IDH1 (0.39) | IDH1OPRM1CCKBRCCKAR | |
| SCHEMBL10184173 | 0.84 | OPRM1 (0.37) | IDH1OPRM1OPRK1OPRL1KDM4E | |
| SCHEMBL10185886 | 0.83 | IDH1 (0.46) | IDH1OPRM1OPRK1OPRL1CCKBR | |
| SCHEMBL10185724 | 0.82 | IDH1 (0.42) | IDH1OPRM1OPRK1OPRL1CCKBR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |