Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL853121 | 1.00 | CTSK (0.37) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL29026540 | 0.95 | CTSK (0.36) | CTSKMEN1KMT2ACYP3A4FAAH | |
| SCHEMBL29197061 | 0.89 | CA1 (0.40) | CTSKCA1CA2CYP3A4FAAH | |
| SCHEMBL6832950 | 0.89 | TAS1R3 (0.36) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL6832949 | 0.89 | TAS1R3 (0.36) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL852191 | 0.84 | CA2 (0.41) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL852192 | 0.84 | CA2 (0.41) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL28146565 | 0.84 | CTSK (0.45) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL10291076 | 0.83 | HDAC1 (0.46) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL3433260 | 0.82 | CTSK (0.33) | CTSKCA1CA2HDAC1HDAC2 |
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 3 patents. 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 |
| EP-1441720-A1 | INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-08-04 | — | — | EP | 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 |