Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 10/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2967942 | 0.74 | OPRM1 (0.59) | ESR1ESR2OPRM1OPRK1OPRD1 | |
| SCHEMBL22112096 | 0.74 | ESR1 (0.43) | ESR1ESR2OPRM1OPRK1OPRD1 | |
| SCHEMBL14143096 | 0.73 | OPRM1 (0.60) | ESR1ESR2OPRM1OPRK1OPRD1 | |
| SCHEMBL6932394 | 0.69 | CCR3 (0.44) | MGLL | |
| SCHEMBL30503933 | 0.69 | OPRM1 (0.51) | ESR1ESR2MGLLOPRM1OPRK1 | |
| SCHEMBL12230207 | 0.68 | CCR3 (0.50) | MGLL | |
| SCHEMBL27785492 | 0.68 | GBA1 (0.62) | ESR1ESR2OPRM1OPRK1OPRD1 | |
| SCHEMBL22112048 | 0.66 | ESR2 (0.49) | ESR1ESR2MGLLOPRM1OPRK1 | |
| SCHEMBL7053655 | 0.65 | KCNH2 (0.43) | MGLLDRD2DRD3 | |
| SCHEMBL28052784 | 0.65 | GRIN2D (0.53) | MGLL |
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-2020120539-A1 | NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-06-18 | — | — | WO | disclosed |