Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.37 |
| ▸ | ADAM10 | O14672 | 6/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CCKAR | P32238 | 2/20 | 0.32 |
| ▸ | CCKBR | P32239 | 2/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10185708 | 0.87 | LMNA (0.41) | IDH1ALDH1A1MEN1KMT2AAGTR2 | |
| SCHEMBL10185674 | 0.86 | IDH1 (0.48) | IDH1HTR1ADRD2HTR2AALDH1A1 | |
| SCHEMBL10183330 | 0.81 | IDH1 (0.48) | IDH1HTR1ADRD2HTR2AALDH1A1 | |
| SCHEMBL10184102 | 0.80 | IDH1 (0.37) | IDH1MMP3MMP9HTR1ADRD2 | |
| SCHEMBL10183756 | 0.79 | TSHR (0.44) | IDH1ALDH1A1KMT2AAGTR2OPRM1 | |
| SCHEMBL10183299 | 0.78 | OPRM1 (0.40) | IDH1CCKARCCKBRAGTR2OPRM1 | |
| SCHEMBL10184038 | 0.78 | KMT2A (0.36) | IDH1ALDH1A1MEN1KMT2ACCKBR | |
| SCHEMBL10184119 | 0.77 | OPRM1 (0.37) | IDH1CCKARCCKBRAGTR2OPRM1 | |
| SCHEMBL10183319 | 0.77 | MEN1 (0.43) | IDH1ALDH1A1MEN1KMT2ACCKAR | |
| SCHEMBL10183337 | 0.77 | OPRM1 (0.39) | IDH1MEN1KMT2ACCKARCCKBR |
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 |