Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12824594 | 0.93 | SMO (0.43) | SMOHPGDSALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL12825022 | 0.92 | SMO (0.43) | SMOHPGDSHSD17B10EPHX2 | |
| SCHEMBL12824858 | 0.90 | SMO (0.45) | SMOHPGDSEPHX2SYKDRD4 | |
| SCHEMBL12824713 | 0.89 | SMO (0.43) | SMOEPHX2 | |
| SCHEMBL12824862 | 0.89 | SMO (0.44) | SMOALDH1A1HSD17B10EPHX2SYK | |
| SCHEMBL12824720 | 0.89 | SMO (0.44) | SMOHPGDSHSD17B10EPHX2SYK | |
| SCHEMBL12825055 | 0.89 | SMO (0.44) | SMOEPHX2SYK | |
| SCHEMBL12825057 | 0.89 | SMO (0.44) | SMOHSD17B10EPHX2SYK | |
| SCHEMBL12825019 | 0.89 | SMO (0.44) | SMOALDH1A1USP30EPHX2 | |
| SCHEMBL12824616 | 0.88 | SMO (0.43) | SMOHPGDHSD17B10KDM4EEPHX2 |
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-2011024869-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |