Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2184012 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL3752221 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL15961396 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL24267510 | 0.75 | ALDH1A1 (0.38) | ALDH1A1LMNASLC15A2 | |
| SCHEMBL10502157 | 0.74 | CA1 (0.32) | ALDH1A1CA1CA2SMN1; SMN2ZDHHC7 | |
| SCHEMBL18124773 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL17305959 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL685012 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CA1CA2MGAMGAA | |
| SCHEMBL11738530 | 0.72 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2TSHRMMELMNA | |
| SCHEMBL9589397 | 0.71 | MMP1 (0.41) | ALDH1A1CA1CA2MGAMGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3036236-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS (DK) | 2017-06-07 | — | — | EP | disclosed |