Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | ACE | P12821 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13071527 | 0.92 | DPP4 (0.39) | ALDH1A1SMN1; SMN2CCR1XIAPDPP4 | |
| SCHEMBL13072076 | 0.91 | ACE (0.35) | ALDH1A1SMN1; SMN2GAAACELMNA | |
| SCHEMBL13071880 | 0.91 | UBE2M (0.34) | ALDH1A1SMN1; SMN2XIAPDPP4ACE | |
| SCHEMBL12831754 | 0.90 | ACE (0.41) | SMN1; SMN2ACELMNA | |
| SCHEMBL13071526 | 0.89 | UBE2M (0.35) | XIAPACEUBE2MDCUN1D1 | |
| SCHEMBL13071528 | 0.87 | DPP4 (0.36) | SMN1; SMN2DPP4ACELMNA | |
| SCHEMBL13071885 | 0.86 | XIAP (0.35) | SMN1; SMN2GAAMAPTCCR1XIAP | |
| SCHEMBL13071388 | 0.83 | HTR1A (0.38) | ALDH1A1SMN1; SMN2MAPTACELMNA | |
| SCHEMBL13071921 | 0.81 | DPP4 (0.35) | XIAPDPP4ACEUBE2MDCUN1D1 | |
| SCHEMBL8203250 | 0.79 | F2 (0.41) | ACECTSL |
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-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |