Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 15/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL10185726 | 0.92 | IDH1 (0.41) | IDH1AGTR2 | |
| SCHEMBL15137849 | 0.82 | IDH1 (0.46) | IDH1AGTR2HDAC1HDAC8HDAC6 | |
| SCHEMBL10183312 | 0.82 | AGTR2 (0.37) | IDH1AGTR2 | |
| SCHEMBL10185959 | 0.81 | IDH1 (0.52) | IDH1AGTR2 | |
| SCHEMBL10185724 | 0.81 | IDH1 (0.42) | IDH1 | |
| SCHEMBL10183311 | 0.80 | IDH1 (0.34) | IDH1AGTR2 | |
| SCHEMBL10184010 | 0.79 | IDH1 (0.35) | IDH1AGTR2 | |
| SCHEMBL10183315 | 0.79 | AGTR2 (0.35) | IDH1AGTR2 | |
| SCHEMBL10185908 | 0.79 | IDH1 (0.35) | IDH1AGTR2 | |
| SCHEMBL10185644 | 0.75 | IDH1 (0.48) | IDH1AGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013107405-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2013-07-25 | — | — | WO | disclosed |
| WO-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |