Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8278742 | 0.86 | NOTUM (0.50) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL2608464 | 0.86 | NOTUM (0.47) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL8253789 | 0.84 | NOTUM (0.45) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL2608458 | 0.84 | NOTUM (0.45) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL2102201 | 0.84 | NOTUM (0.45) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL2102200 | 0.84 | NOTUM (0.45) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL22784355 | 0.81 | NOTUM (0.55) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL30132306 | 0.80 | NOTUM (0.57) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL13951292 | 0.80 | CHRM4 (0.52) | NOTUMABHD6KMT2AMEN1MAPT | |
| SCHEMBL12164334 | 0.80 | TRAP1 (0.39) | ABHD6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426359-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-23 | — | — | US | disclosed |