Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 13/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10185886 | 0.91 | IDH1 (0.46) | IDH1NPC1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185550 | 0.91 | IDH1 (0.44) | IDH1OPRM1OPRK1OPRL1CCKAR | |
| SCHEMBL10183799 | 0.91 | IDH1 (0.42) | IDH1OPRM1OPRK1OPRL1CCKAR | |
| SCHEMBL10185724 | 0.91 | IDH1 (0.42) | IDH1NPC1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185987 | 0.91 | IDH1 (0.42) | IDH1OPRM1OPRK1OPRL1CCKAR | |
| SCHEMBL15137849 | 0.90 | IDH1 (0.46) | IDH1AGTR2 | |
| SCHEMBL10185726 | 0.89 | IDH1 (0.41) | IDH1NPC1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185834 | 0.87 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1CCKAR | |
| SCHEMBL10185988 | 0.86 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1TP53 | |
| SCHEMBL10183771 | 0.86 | IDH1 (0.39) | IDH1OPRM1OPRK1OPRL1CCKAR |
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 |