Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL581844 | 0.86 | OPRK1 (0.36) | SLC6A4SLC6A3OPRK1SLC6A2 | |
| SCHEMBL581679 | 0.83 | SLC6A4 (0.47) | SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL587433 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL3072715 | 0.81 | NOTUM (0.49) | MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL581471 | 0.81 | HRH3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL581998 | 0.79 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL580915 | 0.78 | OPRK1 (0.35) | OPRK1MEN1ALDH1A1KMT2A | |
| SCHEMBL581832 | 0.78 | NOTUM (0.44) | SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL587444 | 0.78 | SMN1; SMN2 (0.47) | SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2 | |
| Hydrochloric Acid SCHEMBL580918 | 0.76 | DPP4 (0.34) | ALDH1A1 |
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-2417131-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117323-A1 | METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |