Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL758717 | 0.87 | ENPP2 (0.44) | GBA1CHRNB4CHRNA3TSHR | |
| SCHEMBL27533679 | 0.83 | GBA1 (0.57) | IDO1SLC18A3GBA1 | |
| SCHEMBL17982807 | 0.80 | S1PR1 (0.40) | SLC18A3GBA1CHRNB4CHRNA3TSHR | |
| SCHEMBL16957589 | 0.79 | DRD2 (0.55) | DRD2CHRNB4CHRNA3DRD3CYP3A4 | |
| SCHEMBL16578691 | 0.79 | ESR2 (0.51) | SLC18A3DRD2CHRNB4CHRNA3DRD3 | |
| SCHEMBL17982840 | 0.79 | S1PR1 (0.42) | GBA1DRD2CHRNB4CHRNA3DRD3 | |
| SCHEMBL28164081 | 0.79 | OPRM1 (0.59) | CYP2C9 | |
| SCHEMBL17729950 | 0.74 | ESR2 (0.68) | IDO1SLC18A3ESR1CYP3A4CYP2C9 | |
| SCHEMBL5756827 | 0.74 | ESR2 (0.68) | IDO1SLC18A3ESR1CYP3A4CYP2C9 | |
| SCHEMBL10881534 | 0.74 | ESR2 (0.68) | IDO1SLC18A3ESR1CYP3A4CYP2C9 |
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 |