Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 14/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5605395 | 0.99 | CASP1 (0.50) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL5605738 | 0.90 | CYP3A4 (0.48) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8267044 | 0.83 | CYP3A4 (0.52) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4971348 | 0.79 | CYP3A4 (0.50) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL7950561 | 0.78 | SYK (0.48) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL12937431 | 0.78 | CYP3A4 (0.47) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4972190 | 0.77 | CYP3A4 (0.48) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL1551802 | 0.76 | CYP3A4 (0.47) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL2398018 | 0.76 | KYNU (0.57) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL2396183 | 0.76 | KYNU (0.57) | CASP1CYP3A4TSHRALDH1A1SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| EP-1664003-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028454-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |