Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.32 |
| ▸ | PFKFB4 | Q16877 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4729162 | 0.94 | CCR2 (0.36) | NPC1SLC6A3SLC6A2SLC6A4CCR2 | |
| SCHEMBL4730791 | 0.91 | NPC1 (0.35) | NPC1ALDH1A1RAB9AABL1PFKFB3 | |
| SCHEMBL14223409 | 0.85 | PDK2 (0.33) | NPC1ALDH1A1RAB9AMAPTABL1 | |
| SCHEMBL1961431 | 0.84 | CACNA2D1 (0.41) | SLC6A3SLC6A2SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL1960202 | 0.79 | CYP2E1 (0.39) | SLC6A3SLC6A2SLC6A4CCR2CYP1A2 | |
| SCHEMBL4157913 | 0.78 | FLT1 (0.39) | NPC1CYP1A2CYP2C19ALDH1A1FLT1 | |
| SCHEMBL14223295 | 0.76 | KDM4E (0.33) | NPC1RAB9AMAPTABL1SMN1; SMN2 | |
| SCHEMBL4796389 | 0.76 | KDM4E (0.33) | NPC1ALDH1A1RAB9A | |
| SCHEMBL4796398 | 0.76 | KDM4E (0.33) | NPC1ALDH1A1RAB9A | |
| SCHEMBL2157606 | 0.75 | MAPT (0.46) | NPC1SLC6A3ALDH1A1LMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008043791-A2 | THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008043791-A2 | THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-17 | — | — | WO | disclosed |