Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637822 | 0.94 | ALDH1A1 (0.43) | ADORA3ALDH1A1GAAPTGER4PTGER3 | |
| SCHEMBL4637770 | 0.89 | ADORA3 (0.46) | ADORA3ALDH1A1GAAPTGER4AKR1C3 | |
| SCHEMBL4637820 | 0.87 | GAA (0.40) | ADORA3ALDH1A1GAAPTGER4TACR1 | |
| SCHEMBL4638051 | 0.84 | ALDH1A1 (0.39) | ADORA3ALDH1A1GAAPTGER4THRB | |
| SCHEMBL4638558 | 0.83 | ALDH1A1 (0.42) | ADORA3ALDH1A1GAAPTGER4PTGER3 | |
| SCHEMBL4638482 | 0.83 | ALDH1A1 (0.44) | ADORA3ALDH1A1GAAPTGER4CDC7 | |
| SCHEMBL4637826 | 0.79 | ALDH1A1 (0.47) | ADORA3ALDH1A1GAAPTGER4PTGDR2 | |
| SCHEMBL4637811 | 0.78 | GRM2 (0.36) | ADORA3ALDH1A1GAAPTGER4THRB | |
| SCHEMBL4637824 | 0.77 | ALDH1A1 (0.44) | ADORA3ALDH1A1GAAPTGER4TACR1 | |
| SCHEMBL4638520 | 0.77 | ALDH1A1 (0.44) | ALDH1A1GAACDC7TACR1CYP19A1 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |