Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12584816 | 0.84 | CHRNB2 (0.36) | ALDH1A1EPHX1CHRNB2CHRNA4SMN1; SMN2 | |
| SCHEMBL13792022 | 0.84 | ALDH1A1 (0.45) | ALDH1A1EPHX1CYP2C9MEN1KMT2A | |
| SCHEMBL12585586 | 0.75 | CHRNB2 (0.40) | CYP2C9MEN1KMT2ACHRNB2CHRNB4 | |
| SCHEMBL8374989 | 0.73 | ALDH1A1 (0.54) | ALDH1A1EPHX1MEN1KMT2AL3MBTL1 | |
| SCHEMBL13791853 | 0.70 | CHRNB2 (0.37) | EPHX1CYP2C9CHRNB2CHRNA4SMN1; SMN2 | |
| SCHEMBL24920456 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6219661 | 0.68 | DPP4 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL21994477 | 0.66 | ALOX15 (0.38) | KMT2ACHRNB2CHRNA4LMNA | |
| SCHEMBL8372462 | 0.66 | EPHX1 (0.43) | ALDH1A1EPHX1CYP2C9MEN1KMT2A | |
| SCHEMBL24554762 | 0.65 | DPP4 (0.37) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-7550559-B2 | Acylsulfonamide compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2009-06-23 | — | — | US | disclosed |
| US-7399749-B2 | Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-07-15 | — | — | US | disclosed |
| US-7342041-B2 | 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-03-11 | — | — | US | disclosed |