Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | 0.85 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL6012435 | 0.82 | SIGMAR1 (0.53) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL21538553 | 0.81 | MEN1 (0.50) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL323276 | 0.76 | CYP2D6 (0.52) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL6010623 | 0.76 | NPSR1 (0.42) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL6010963 | 0.76 | ALDH1A1 (0.46) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL14892648 | 0.76 | TSHR (0.46) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL322816 | 0.75 | CYP2D6 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL20722446 | 0.75 | SIGMAR1 (0.47) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL4875396 | 0.75 | CYP2D6 (0.55) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 |
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-1438962-A1 | DRUGS COMPRISING COMBINATION OF TRIAZASPIRO 5,5 U NDECANE DERIVATIVE WITH CYTOCHROME P450 ISOZYME 3A4 INHIBITOR AND/OR P−GLYCOPROTEIN INHIBITOR | ONO PHARMACEUTICAL CO., LTD. (JP) | 2004-07-21 | — | — | EP | disclosed |