Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.41 |
| ▸ | ITGAV | P06756 | 8/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 4/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL4761828 | 0.90 | DPP4 (0.50) | DPP4KDM4EHTTITGB3ITGAV | |
| SCHEMBL4760965 | 0.86 | NAMPT (0.45) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4760436 | 0.85 | ITGB3 (0.51) | DPP4KDM4EHTTITGB3ITGAV | |
| SCHEMBL4762157 | 0.85 | ITGB3 (0.51) | DPP4KDM4EHTTITGB3ITGAV | |
| SCHEMBL4790307 | 0.84 | ITGB3 (0.44) | DPP4ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL4714941 | 0.82 | GRIN2B (0.39) | DPP4ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL4791396 | 0.79 | ITGB3 (0.44) | DPP4ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL4791386 | 0.79 | ITGB3 (0.51) | DPP4ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL4790911 | 0.78 | NAMPT (0.49) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4718481 | 0.78 | PTGDR2 (0.38) | KDM4EALDH1A1TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |
| US-6514964-B1 | Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors | AMGEN INC. | 2003-02-04 | — | — | US | disclosed |