Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6006756 | 0.79 | OPRD1 (0.39) | OPRD1SIGMAR1HSD17B10OPRM1SLC18A3 | |
| SCHEMBL11275319 | 0.79 | CHRM1 (0.43) | SIGMAR1SMN1; SMN2DRD2MAPK1KDM1A | |
| SCHEMBL9963267 | 0.76 | CYP2D6 (0.44) | SMN1; SMN2MAPK1KDM1AKCNH2 | |
| SCHEMBL9644214 | 0.74 | NFKB1 (0.40) | SMN1; SMN2HSD17B10CTRCKDM1AMAOB | |
| SCHEMBL12835956 | 0.74 | DRD2 (0.47) | SIGMAR1OPRM1DRD2KCNH2 | |
| SCHEMBL11282611 | 0.73 | LMNA (0.52) | SIGMAR1OPRM1LMNADRD2KCNH2 | |
| SCHEMBL11364638 | 0.72 | OPRD1 (0.40) | OPRD1SIGMAR1HSD17B10OPRM1SLC18A3 | |
| SCHEMBL10748346 | 0.71 | KDM1A (0.46) | CTRCALDH1A1KDM1AMAOBNFKB1 | |
| SCHEMBL11276382 | 0.70 | BRD4 (0.47) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL17968386 | 0.69 | SIGMAR1 (0.44) | OPRD1SIGMAR1HSD17B10OPRM1SLC18A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |