Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GRM8 | O00222 | 1/20 | 0.35 |
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL2371475 | 1.00 | GABRR1 (0.48) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL2370535 | 1.00 | GABRR1 (0.48) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL9112735 | 1.00 | GABRR1 (0.48) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL19526286 | 1.00 | GABRR1 (0.48) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL2371479 | 1.00 | GABRR1 (0.48) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL28046282 | 0.87 | GABRR1 (0.44) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL14821724 | 0.87 | GABRR1 (0.39) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL12855800 | 0.87 | MEN1 (0.39) | GABRR1ALDH1A1LMNAPOLBMEN1 | |
| Hydrochloric Acid SCHEMBL9114749 | 0.82 | GABRR1 (0.50) | GABRR1ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL7280473 | 0.82 | POLB (0.39) | GABRR1ALDH1A1LMNAPOLBMEN1 |
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-2547645-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV | Janssen Pharmaceuticals, Inc. (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011113859-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2011-09-22 | — | — | WO | disclosed |