Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707915 | 0.94 | IDH1 (0.48) | IDH1HTTL3MBTL1GRM2PTGDR2 | |
| SCHEMBL4637714 | 0.93 | IDH1 (0.54) | IDH1AKR1C3PTGER4GRM2ADORA3 | |
| SCHEMBL4638905 | 0.86 | IDH1 (0.41) | IDH1GRIN2BGRIN1MAPTPTGER4 | |
| SCHEMBL4638811 | 0.86 | IDH1 (0.40) | IDH1L3MBTL1MAPTSMN1; SMN2CYP19A1 | |
| SCHEMBL4637949 | 0.85 | IDH1 (0.39) | IDH1HTTL3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL4638053 | 0.85 | ALDH1A1 (0.44) | IDH1HTTL3MBTL1POLBAKR1C3 | |
| SCHEMBL4637813 | 0.84 | IDH1 (0.39) | IDH1HTTL3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL4637750 | 0.84 | IDH1 (0.43) | IDH1HTTL3MBTL1POLBGRIN2B | |
| SCHEMBL4638668 | 0.82 | POLB (0.51) | IDH1HTTL3MBTL1POLBGRIN2B | |
| SCHEMBL4637887 | 0.81 | USP2 (0.36) | IDH1AKR1C3AKR1C2GRM2PTGDR2 |
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 |