Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10183929 | 0.85 | CHRM2 (0.43) | ALDH1A1KDM4EL3MBTL1CHRM2CHRM4 | |
| SCHEMBL10185657 | 0.81 | IDH1 (0.47) | ALDH1A1KDM4EL3MBTL1CHRM2CHRM4 | |
| SCHEMBL10183233 | 0.77 | CHRM2 (0.44) | ALDH1A1KDM4EL3MBTL1CHRM2CHRM4 | |
| SCHEMBL10184168 | 0.70 | OPRM1 (0.37) | ALDH1A1KDM4EL3MBTL1CHRM2CHRM4 | |
| SCHEMBL10184102 | 0.67 | IDH1 (0.37) | MEN1KMT2AMAPTOPRM1OPRK1 | |
| SCHEMBL10183756 | 0.67 | TSHR (0.44) | ALDH1A1KMT2AMAPTHPGDTSHR | |
| SCHEMBL10184173 | 0.67 | OPRM1 (0.37) | KDM4EKMT2AOPRM1OPRK1OPRL1 | |
| SCHEMBL10183330 | 0.66 | IDH1 (0.48) | ALDH1A1MEN1KMT2AMAPTOPRM1 | |
| SCHEMBL10183302 | 0.65 | PTAFR (0.41) | ALDH1A1MAPTHPGDTDP1OPRM1 | |
| SCHEMBL10183336 | 0.65 | OPRM1 (0.36) | MAPTOPRM1OPRK1OPRL1 |
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 |