Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 6/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL852192 | 1.00 | CA2 (0.41) | CA2CA1CTSKFAAHCES1 | |
| SCHEMBL29144833 | 0.90 | CA2 (0.40) | CA2CA1CTSKGAAXBP1 | |
| SCHEMBL29026540 | 0.89 | CTSK (0.36) | CTSKFAAHNPSR1MEN1KMT2A | |
| SCHEMBL29197061 | 0.89 | CA1 (0.40) | CA2CA1CTSKFAAHNPSR1 | |
| SCHEMBL28454383 | 0.88 | CA1 (0.41) | CA2CA1FAAHCES1L3MBTL1 | |
| SCHEMBL853122 | 0.84 | CTSK (0.37) | CA2CA1CTSKFAAHGAA | |
| SCHEMBL853121 | 0.84 | CTSK (0.37) | CA2CA1CTSKFAAHGAA | |
| SCHEMBL28432823 | 0.83 | CA2 (0.46) | CA2CA1CTSKFAAHCES1 | |
| SCHEMBL28932005 | 0.83 | CA2 (0.46) | CA2CA1CTSKFAAHCES1 | |
| SCHEMBL28526732 | 0.83 | CTSK (0.38) | CA2CA1CTSKGAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1441720-B8 | INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM | VERTEX PHARMA (US) | 2012-03-28 | — | — | EP | disclosed |