Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.42 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.42 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.42 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.42 |
| ▸ | ATP1A2 | P50993 | 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 | |
|---|---|---|---|---|
| SCHEMBL11061377 | 0.81 | HRH3 (0.53) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| Hydrochloric Acid SCHEMBL11061505 | 0.79 | HRH3 (0.51) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| SCHEMBL4335866 | 0.78 | NQO1 (0.52) | LTA4HLMNACYP2C9TSHRBLM | |
| SCHEMBL10575194 | 0.77 | HRH3 (0.56) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| SCHEMBL8845495 | 0.76 | LTA4H (0.58) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| SCHEMBL27954207 | 0.76 | LMNA (0.48) | LMNACYP2C9TSHRBLMPPARA | |
| Hydrochloric Acid SCHEMBL10574784 | 0.75 | LTA4H (0.56) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| SCHEMBL12449242 | 0.74 | HRH3 (0.53) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| Sulfuric Acid SCHEMBL11060751 | 0.74 | HRH3 (0.48) | HRH3LTA4HKEAP1NFE2L2ESR1 | |
| SCHEMBL8915518 | 0.74 | LTA4H (0.55) | HRH3LTA4HKEAP1NFE2L2ESR1 |
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-4442119-A | Cyclopropyl analogs as estrogenic and anti-fertility agents | THE BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US) | 1984-04-10 | — | — | US | disclosed |