Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RBP4 | P02753 | 9/20 | 0.36 |
| ▸ | TTR | P02766 | 6/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | CYP8B1 | Q9UNU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21795312 | 0.82 | AR (0.42) | NCF1NOTUMARPDE3BPDE3A | |
| SCHEMBL23760701 | 0.82 | AR (0.42) | NCF1NOTUMARPDE3BPDE3A | |
| SCHEMBL23760683 | 0.81 | MAP4K4 (0.42) | NCF1NOTUMARPDE3BPDE3A | |
| SCHEMBL23369720 | 0.78 | NCF1 (0.52) | NCF1RPS6KB1 | |
| SCHEMBL18991731 | 0.77 | KDM4E (0.49) | NOTUMPDE3BPDE3A | |
| SCHEMBL30571038 | 0.76 | PIM2 (0.46) | CYP2C19PIK3CA | |
| SCHEMBL28662001 | 0.76 | PIM2 (0.46) | CYP2C19PIK3CA | |
| SCHEMBL23760669 | 0.76 | NOTUM (0.39) | RBP4NCF1NOTUMARPDE3B | |
| SCHEMBL31648090 | 0.72 | ACACB (0.47) | AR | |
| Hydrochloric Acid SCHEMBL31648142 | 0.71 | ACACB (0.46) | AR |
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-2020043271-A1 | NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-03-05 | — | — | WO | disclosed |