Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127660 | 0.85 | TRPA1 (0.42) | TSHRLMNATRPA1CCR1ADRA2A | |
| SCHEMBL11865382 | 0.83 | TSHR (0.50) | TSHRLMNATRPA1ADRA2CKDM4E | |
| SCHEMBL3432213 | 0.82 | KMT2A (0.44) | LMNACCR1KDM4EALDH1A1ESR1 | |
| SCHEMBL953748 | 0.79 | TRPA1 (0.43) | TSHRLMNATRPA1CCR1ALDH1A1 | |
| SCHEMBL988253 | 0.79 | TSHR (0.48) | TSHRLMNATRPA1CCR1KDM4E | |
| SCHEMBL27542822 | 0.76 | ALOX5 (0.40) | TSHRLMNATRPA1CCR1KDM4E | |
| SCHEMBL27587669 | 0.76 | HRH1 (0.50) | LMNAADRA2CKDM4EADRA2AHIF1A | |
| SCHEMBL28981578 | 0.76 | TSHR (0.45) | TSHRLMNATRPA1CCR1ALDH1A1 | |
| SCHEMBL1445763 | 0.76 | CCR1 (0.42) | TSHRLMNATRPA1CCR1KDM4E | |
| SCHEMBL6938022 | 0.75 | HRH1 (0.44) | TSHRLMNATRPA1CCR1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2266967-A1 | Intermediates for the preparation of octahydroquinolizines | 55pharma Drug Discovery & Development AG (AT) | 2010-12-29 | — | — | EP | disclosed |
| EP-2266967-A1 | Intermediates for the preparation of octahydroquinolizines | 55pharma Drug Discovery & Development AG (AT) | 2010-12-29 | — | — | EP | disclosed |
| WO-2010144937-A2 | INTERMEDIATES FOR THE PREPARATION OF OCTAHYDROQUINOLIZINES | 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) | 2010-12-23 | — | — | WO | disclosed |