Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 12/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11092704 | 0.83 | HSD17B2 (0.51) | HSD17B2 | |
| SCHEMBL11088745 | 0.78 | KMT2A (0.45) | — | |
| SCHEMBL15744018 | 0.72 | HSD17B2 (0.42) | HSD17B2SIGMAR1 | |
| SCHEMBL6771317 | 0.71 | CYP19A1 (0.41) | CYP19A1HSD17B2 | |
| SCHEMBL6771313 | 0.71 | CYP19A1 (0.41) | CYP19A1HSD17B2 | |
| SCHEMBL6772031 | 0.71 | CYP19A1 (0.41) | CYP19A1HSD17B2 | |
| SCHEMBL15743946 | 0.71 | HSD17B2 (0.56) | HSD17B2 | |
| SCHEMBL1856162 | 0.69 | CYP19A1 (0.64) | CYP19A1 | |
| SCHEMBL30912528 | 0.67 | BRD4 (0.70) | CYP19A1 | |
| SCHEMBL30912553 | 0.67 | BRD4 (0.70) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4443616-A | Production of 3-pyrrolin-2-ones | THE PURDUE FREDERICK COMPANY (US) | 1984-04-17 | — | — | US | disclosed |