Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 14/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042651 | 0.98 | CHRM4 (0.52) | CHRM4CYP1A2ADORA2AADORA1CHRM2 | |
| SCHEMBL20042834 | 0.96 | CHRM4 (0.56) | CHRM4CYP1A2ADORA2AADORA1CHRM2 | |
| SCHEMBL20042654 | 0.86 | HSD11B1 (0.41) | CHRM4CYP1A2ADORA2AADORA1CNR2 | |
| SCHEMBL20042714 | 0.85 | CHRM4 (0.43) | CHRM4CYP1A2ADORA2AADORA1CNR2 | |
| SCHEMBL20042800 | 0.81 | CNR1 (0.45) | CHRM4CYP1A2ALDH1A1LMNATSHR | |
| SCHEMBL20042650 | 0.80 | USP19 (0.37) | CHRM4CYP1A2ADORA2AADORA1NPY5R | |
| SCHEMBL20042806 | 0.79 | CNR1 (0.47) | CHRM4ALDH1A1LMNATSHRNR4A1 | |
| SCHEMBL31614812 | 0.79 | CHRM4 (0.70) | CHRM4CYP1A2CHRM2 | |
| SCHEMBL31614814 | 0.79 | CHRM4 (0.70) | CHRM4CYP1A2CHRM2 | |
| SCHEMBL20042870 | 0.78 | KDM4E (0.35) | KDM4EALDH1A1HSD17B10LMNATSHR |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |