Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 7/20 | 0.34 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL23051973 | 0.83 | GRN (0.39) | GRNSORT1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL23332621 | 0.81 | SERPINE1 (0.39) | GRNSORT1CTSKCTSSCAPN1 | |
| SCHEMBL29750396 | 0.81 | CAD (0.39) | GRNSORT1BACE1CYP2C9MAPK14 | |
| SCHEMBL4808053 | 0.80 | GRN (0.36) | GRNSORT1BACE1MAPK14MAPK1 | |
| SCHEMBL4808040 | 0.80 | GRN (0.36) | GRNSORT1BACE1MAPK14MAPK1 | |
| SCHEMBL23051872 | 0.80 | CTSK (0.38) | GRNSORT1MAPK1CTSKCTSS | |
| SCHEMBL30826518 | 0.80 | CYP2D6 (0.42) | CYP2C9CYP1A2CYP2C19HTTCTSK | |
| SCHEMBL25455581 | 0.79 | MAPK1 (0.36) | GRNSORT1CYP2C9MAPK14CYP1A2 | |
| SCHEMBL20571234 | 0.79 | GRN (0.40) | GRNSORT1BACE1CYP2C9MAPK14 | |
| SCHEMBL20571233 | 0.79 | GRN (0.40) | GRNSORT1BACE1CYP2C9MAPK14 |
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-2021038426-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-03-04 | — | — | WO | disclosed |