Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 10/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10185551 | 0.91 | NPC1 (0.37) | IDH1AGTR2HCRTR1HCRTR2NPC1 | |
| SCHEMBL10183312 | 0.84 | AGTR2 (0.37) | IDH1AGTR2NPC1ALDH1A1KMT2A | |
| SCHEMBL10184010 | 0.83 | IDH1 (0.35) | IDH1AGTR2NPC1 | |
| SCHEMBL10185908 | 0.82 | IDH1 (0.35) | IDH1AGTR2ALDH1A1 | |
| SCHEMBL10183315 | 0.81 | AGTR2 (0.35) | IDH1AGTR2KMT2A | |
| SCHEMBL10183676 | 0.81 | HCRTR1 (0.35) | IDH1AGTR2HCRTR1HCRTR2NPC1 | |
| SCHEMBL10184031 | 0.80 | IDH1 (0.35) | IDH1AGTR2 | |
| SCHEMBL10185558 | 0.80 | NPC1 (0.36) | IDH1AGTR2NPC1ALDH1A1KMT2A | |
| SCHEMBL10183761 | 0.80 | TRPM8 (0.42) | AGTR2ALDH1A1KMT2A | |
| SCHEMBL10185587 | 0.79 | TRPM8 (0.41) | ALDH1A1KMT2A |
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 |