Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.35 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL870709 | 0.92 | HMGCR (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL581163 | 0.92 | HMGCR (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL581260 | 0.81 | HMGCR (0.44) | HMGCRGAAATMNPSR1 | |
| SCHEMBL18040863 | 0.80 | HMGCR (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL22749431 | 0.80 | HMGCR (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL5405788 | 0.80 | HMGCR (0.47) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9431158 | 0.79 | HMGCR (0.46) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9431242 | 0.79 | HMGCR (0.46) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL714804 | 0.78 | ESR1 (0.58) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7004423 | 0.78 | ESR1 (0.58) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849821-A | Tris-aryl-s-triazines substituted with biphenylyl groups | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-12-15 | — | — | US | disclosed |
| US-5844025-A | 1,2-Bis-adducts of stable nitroxides with substituted ethylenes and stabilized compositions | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-12-01 | — | — | US | disclosed |