Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL22112048 | 0.83 | ESR2 (0.49) | ESR2DRD2DRD3 | |
| SCHEMBL9874798 | 0.77 | NPC1 (0.50) | ALDH1A1 | |
| SCHEMBL23886405 | 0.75 | TAAR1 (0.48) | ALDH1A1FAAHMCOLN3POLB | |
| SCHEMBL10931209 | 0.74 | ESR2 (0.49) | ALDH1A1ESR2DRD2DRD4DRD3 | |
| SCHEMBL22112254 | 0.73 | ESR2 (0.44) | ESR2 | |
| SCHEMBL7304199 | 0.72 | SLC6A2 (0.44) | ESR2DRD2DRD4ACHEBACE1 | |
| SCHEMBL31530683 | 0.71 | HTR2C (0.40) | DRD2DRD4DRD3 | |
| SCHEMBL2264462 | 0.71 | ALDH1A1 (0.42) | ALDH1A1FAAHMCOLN3POLB | |
| SCHEMBL10930535 | 0.71 | ESR2 (0.50) | ESR2DRD2DRD4DRD3BACE1 | |
| SCHEMBL10932075 | 0.71 | ESR2 (0.46) | ESR2DRD2DRD4DRD3 |
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 |