Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PREP | P48147 | 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 | |
|---|---|---|---|---|
| SCHEMBL14273582 | 0.85 | — | — | |
| SCHEMBL24909115 | 0.85 | NR1H2 (0.39) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2497648 | 0.85 | NR1H2 (0.39) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2738413 | 0.82 | ALDH1A1 (0.37) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31603357 | 0.80 | ALDH1A1 (0.36) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31603214 | 0.80 | ALDH1A1 (0.36) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL10063268 | 0.77 | NR1H2 (0.34) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31603528 | 0.77 | ALDH1A1 (0.36) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31603527 | 0.77 | ALDH1A1 (0.36) | NR1H2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL24909669 | 0.77 | ALDH1A1 (0.34) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8486989-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-16 | — | — | US | disclosed |
| EP-1441720-B1 | INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |
| US-7241796-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INC. (US) | 2007-07-10 | — | — | US | disclosed |
| WO-2003035060-A1 | INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-01 | — | — | WO | disclosed |