Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL1077100 | 0.81 | SIGMAR1 (0.51) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL6010623 | 0.79 | NPSR1 (0.42) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL6012435 | 0.78 | SIGMAR1 (0.53) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL21538553 | 0.77 | MEN1 (0.50) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL6635233 | 0.76 | SIGMAR1 (0.41) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL4875396 | 0.74 | CYP2D6 (0.55) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL323276 | 0.73 | CYP2D6 (0.52) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL3537599 | 0.72 | SIGMAR1 (0.51) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL14892648 | 0.72 | TSHR (0.46) | ALDH1A1KMT2AMEN1CYP2D6TSHR | |
| SCHEMBL20722446 | 0.72 | SIGMAR1 (0.47) | ALDH1A1KMT2AMEN1CYP2D6TSHR |
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-1619194-A2 | Triazaspiro[5.5]undecane derivatives and pharmaceutical composition comprising the same as active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-01-25 | — | — | EP | claimed |