Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 15/20 | 0.81 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15118906 | 0.90 | IDH1 (1.00) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL10184097 | 0.89 | IDH1 (0.84) | IDH1MEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL15119069 | 0.89 | IDH1 (0.84) | IDH1MEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL15119072 | 0.89 | IDH1 (0.80) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL10185541 | 0.88 | IDH1 (0.86) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL10185548 | 0.87 | IDH1 (1.00) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL360556 | 0.87 | IDH1 (1.00) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL15118975 | 0.85 | IDH1 (0.84) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL10185870 | 0.83 | IDH1 (0.81) | IDH1MEN1KMT2ANPC1 | |
| SCHEMBL15119070 | 0.83 | IDH1 (0.76) | IDH1MEN1KMT2ANPC1 |
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 |