Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.52 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10316158 | 1.00 | SMO (0.52) | SMOACSS2NPSR1KCNH2CHRM1 | |
| SCHEMBL16230003 | 0.92 | SMO (0.52) | SMOACSS2NPSR1KCNH2CHRM1 | |
| SCHEMBL11976396 | 0.90 | SMO (0.52) | SMOALDH1A1GAAMAPTTSHR | |
| SCHEMBL10316152 | 0.88 | SMO (0.51) | SMOALDH1A1GAAMAPTTSHR | |
| SCHEMBL12826284 | 0.88 | SMO (0.51) | SMOALDH1A1GAAMAPTTSHR | |
| SCHEMBL11976393 | 0.87 | SMO (0.60) | SMOACSS2ALDH1A1 | |
| SCHEMBL10316154 | 0.87 | SMO (0.60) | SMOACSS2ALDH1A1 | |
| SCHEMBL10316141 | 0.85 | SMO (0.55) | SMOACSS2ALDH1A1TSHR | |
| SCHEMBL10316156 | 0.84 | SMO (0.50) | SMOALDH1A1 | |
| SCHEMBL10004447 | 0.81 | SMO (0.76) | SMONPSR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2471791-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011024873-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |