Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | UBE2I | P63279 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10183330 | 0.90 | IDH1 (0.48) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10184102 | 0.88 | IDH1 (0.37) | IDH1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10185708 | 0.86 | LMNA (0.41) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10183324 | 0.86 | IDH1 (0.37) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10183299 | 0.86 | OPRM1 (0.40) | IDH1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10183756 | 0.85 | TSHR (0.44) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10183337 | 0.85 | OPRM1 (0.39) | IDH1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10183319 | 0.85 | MEN1 (0.43) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10185657 | 0.83 | IDH1 (0.47) | IDH1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL10183782 | 0.82 | OPRM1 (0.40) | IDH1OPRM1OPRK1OPRL1LMNA |
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 |