Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729452 | 0.86 | HTR1A (0.38) | HTR1ACHRM2CHRM1ADRA1DOPRM1 | |
| SCHEMBL11702282 | 0.85 | HTR1A (0.38) | HTR1ACHRM2CHRM1ADRA1DL3MBTL1 | |
| SCHEMBL1692140 | 0.78 | HTR1A (0.40) | HTR1ACHRM2CHRM1ADRA1DOPRM1 | |
| SCHEMBL10812665 | 0.76 | KDM1A (0.38) | HTR1ACHRM2CHRM1OPRM1OPRK1 | |
| SCHEMBL27885042 | 0.76 | KDM1A (0.38) | HTR1ACHRM2CHRM1OPRM1OPRK1 | |
| SCHEMBL6493726 | 0.75 | MEN1 (0.40) | HTR1ACHRM2CHRM1OPRM1OPRK1 | |
| SCHEMBL6493723 | 0.75 | MEN1 (0.40) | HTR1ACHRM2CHRM1OPRM1OPRK1 | |
| SCHEMBL11140706 | 0.73 | OPRM1 (0.46) | HTR1AOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL11264607 | 0.73 | HTR1A (0.48) | HTR1AADRA1DRECQLTDP1 | |
| SCHEMBL379441 | 0.70 | MMP2 (0.47) | OPRM1OPRD1OPRK1OPRL1CYP2C9 |
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-2012046882-A1 | 1,4-OXAZEPANE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | WO | disclosed |