Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 8/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10185869 | 0.81 | OPRM1 (0.40) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10185837 | 0.80 | OPRM1 (0.34) | OPRM1OPRK1OPRL1 | |
| SCHEMBL10185545 | 0.80 | OPRM1 (0.35) | OPRM1OPRK1OPRL1ALDH1A1TP53 | |
| SCHEMBL10183290 | 0.76 | IDH1 (0.50) | IDH1GRIN2B | |
| SCHEMBL10183921 | 0.76 | GRIN2B (0.39) | IDH1GRIN2B | |
| SCHEMBL10185518 | 0.76 | OPRM1 (0.37) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10184098 | 0.74 | OPRM1 (0.35) | IDH1OPRM1OPRK1OPRL1TP53 | |
| SCHEMBL10185835 | 0.73 | TSHR (0.38) | OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10185724 | 0.73 | IDH1 (0.42) | IDH1GRIN2BOPRM1OPRK1OPRL1 | |
| SCHEMBL10183299 | 0.72 | OPRM1 (0.40) | IDH1OPRM1OPRK1OPRL1TP53 |
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 |