Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638808 | 0.90 | P2RX7 (0.38) | ADORA3S1PR1P2RX7ALDH1A1MAPT | |
| SCHEMBL4637811 | 0.88 | GRM2 (0.36) | MAPK1ADORA3GAAALDH1A1TSHR | |
| SCHEMBL4638051 | 0.81 | ALDH1A1 (0.39) | CYP19A1ADORA3GAAALDH1A1TSHR | |
| SCHEMBL4638508 | 0.81 | CYP19A1 (0.42) | CYP19A1P2RX7IDO1TDO2ALDH1A1 | |
| SCHEMBL4638903 | 0.79 | IDH1 (0.38) | ADORA3S1PR1GAAP2RX7ALDH1A1 | |
| SCHEMBL4638481 | 0.79 | IDH1 (0.44) | S1PR1GAAP2RX7MAPTSMN1; SMN2 | |
| SCHEMBL4637948 | 0.78 | RORB (0.36) | ADORA3P2RX7MAPTSMN1; SMN2 | |
| SCHEMBL4637712 | 0.78 | IDH1 (0.51) | ADORA3S1PR1GAAP2RX7MAPT | |
| SCHEMBL4707219 | 0.76 | RORB (0.48) | CYP19A1MAPK1IDO1TDO2ALDH1A1 | |
| SCHEMBL4637750 | 0.76 | IDH1 (0.43) | ADORA3P2RX7MAPTSMN1; SMN2 |
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 |