Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11061505 | 0.98 | HRH3 (0.51) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| SCHEMBL8845495 | 0.94 | LTA4H (0.58) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| Hydrochloric Acid SCHEMBL10574784 | 0.93 | LTA4H (0.56) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| Sulfuric Acid SCHEMBL11060751 | 0.91 | HRH3 (0.48) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| SCHEMBL11057521 | 0.85 | LTA4H (0.49) | HRH3LTA4HMAPTCYP1A2CYP3A4 | |
| SCHEMBL11059004 | 0.84 | EBP (0.53) | HRH3LTA4HMAPTCYP1A2CYP2C19 | |
| SCHEMBL11060217 | 0.81 | HRH3 (0.50) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| SCHEMBL8845624 | 0.79 | HTT (0.57) | HRH3LTA4HMAPTCYP1A2CYP2C19 | |
| SCHEMBL6598625 | 0.78 | HRH3 (0.69) | HRH3LTA4HKEAP1NFE2L2MAPT | |
| SCHEMBL6599620 | 0.77 | HRH3 (0.67) | HRH3LTA4HKEAP1NFE2L2MAPT |
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 |