Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL10183922 | 0.82 | HTR1A (0.36) | HTR1ADRD2HTR2AHSD11B1KMT2A | |
| SCHEMBL10183227 | 0.78 | MAPT (0.42) | HTR1ADRD2HTR2AALDH1A1KMT2A | |
| SCHEMBL10185583 | 0.77 | OPRM1 (0.35) | HTR1ADRD2HTR2AALDH1A1KMT2A | |
| SCHEMBL10185957 | 0.76 | TSHR (0.43) | CYP3A4CYP2C19ALDH1A1KMT2AOPRM1 | |
| SCHEMBL10183299 | 0.75 | OPRM1 (0.40) | OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL10184008 | 0.74 | PTGIR (0.38) | CYP3A4CYP2C19ALDH1A1OPRM1OPRK1 | |
| SCHEMBL10183319 | 0.74 | MEN1 (0.43) | ALDH1A1KMT2AOPRM1OPRK1OPRL1 | |
| SCHEMBL10183337 | 0.74 | OPRM1 (0.39) | KMT2AOPRM1OPRK1OPRL1NPC1 | |
| SCHEMBL10185933 | 0.73 | GRM5 (0.40) | KMT2AOPRM1OPRK1OPRL1MEN1 | |
| SCHEMBL10183615 | 0.73 | RORC (0.36) | OPRM1OPRK1OPRL1 |
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 |