Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16653971 | 0.91 | OPRK1 (0.45) | TSHRRECQLOPRK1OPRM1OPRD1 | |
| SCHEMBL9597865 | 0.87 | TSHR (0.59) | TSHRRECQLOPRK1POLBALDH1A1 | |
| SCHEMBL1608155 | 0.87 | TSHR (0.59) | TSHRRECQLOPRK1POLBALDH1A1 | |
| SCHEMBL5425398 | 0.87 | TSHR (0.64) | TSHRRECQLOPRK1POLBALDH1A1 | |
| SCHEMBL12786257 | 0.87 | TSHR (0.64) | TSHRRECQLOPRK1POLBALDH1A1 | |
| SCHEMBL893965 | 0.87 | TSHR (0.59) | TSHRRECQLOPRK1POLBALDH1A1 | |
| SCHEMBL17941715 | 0.86 | ALDH1A1 (0.53) | TSHRRECQLPOLBALDH1A1GAA | |
| SCHEMBL3508595 | 0.86 | ALDH1A1 (0.53) | TSHRRECQLPOLBALDH1A1GAA | |
| SCHEMBL725217 | 0.86 | ALDH1A1 (0.53) | TSHRRECQLPOLBALDH1A1GAA | |
| SCHEMBL9640804 | 0.86 | TSHR (0.54) | TSHRRECQLOPRK1OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350077-A1 | FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043893-A1 | FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2010-04-22 | — | — | WO | disclosed |