Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21845690 | 0.86 | PDE10A (0.41) | PDE10AMAPTELANECYP1A2CYP2A6 | |
| SCHEMBL3052255 | 0.81 | EGFR (0.42) | PDE10AMAPTACHEIKBKBJAK2 | |
| SCHEMBL21845759 | 0.80 | PDE10A (0.38) | PDE10AELANECYP1A2CYP2A6ACHE | |
| SCHEMBL1705948 | 0.80 | ESR1 (0.46) | PDE10AIKBKBJAK2ROCK2JAK1 | |
| SCHEMBL1705752 | 0.77 | PDE10A (0.55) | PDE10ACYP1A2 | |
| SCHEMBL8404562 | 0.76 | CYP1A2 (0.52) | MAPTCYP1A2CYP2A6SMN1; SMN2HSD17B10 | |
| SCHEMBL873335 | 0.75 | CYP11B1 (0.47) | PDE10ACYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL19383227 | 0.74 | PDE10A (0.48) | PDE10ACYP1A2CYP2A6 | |
| SCHEMBL19705388 | 0.73 | CYP1A2 (0.41) | PDE10AMAPTELANECYP1A2CYP2A6 | |
| SCHEMBL12114723 | 0.73 | TRPA1 (0.46) | MAPTCYP1A2CYP2A6SMN1; SMN2HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020056345-A1 | ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS | AERIE PHARMACEUTICALS, INC. (US) | 2020-03-19 | — | — | WO | disclosed |
| EP-3354643-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2018-08-01 | — | — | EP | disclosed |