Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.62 |
| ▸ | CCR5 | P51681 | 16/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6012478 | 0.90 | CCR5 (0.77) | CXCR3CCR5CHRM3SIGMAR1CYP2D6 | |
| SCHEMBL6013224 | 0.89 | CCR5 (0.78) | CCR5CYP2D6 | |
| SCHEMBL6012208 | 0.89 | CCR5 (0.61) | CXCR3CCR5CHRM3SIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5612224 | 0.89 | CCR5 (0.78) | CCR5CHRM3SIGMAR1CYP2D6 | |
| SCHEMBL6611648 | 0.88 | CCR5 (0.76) | CCR5CHRM3SIGMAR1CYP2D6 | |
| SCHEMBL6612540 | 0.87 | CCR5 (0.76) | CXCR3CCR5CYP2D6 | |
| SCHEMBL6613701 | 0.82 | CCR5 (0.76) | CCR5CHRM3SIGMAR1CYP2D6 | |
| SCHEMBL6012627 | 0.82 | CCR5 (0.73) | CCR5CHRM3SIGMAR1CYP2D6 | |
| SCHEMBL6612106 | 0.82 | CCR5 (0.79) | CXCR3CCR5CYP2D6 | |
| Hydrochloric Acid SCHEMBL5612158 | 0.81 | CCR5 (0.74) | CCR5CHRM3SIGMAR1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119091-B2 | Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-10-10 | — | — | US | disclosed |
| EP-1236726-B1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1236726-A1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-09-04 | — | — | EP | disclosed |