Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Thiazole-5-Carbaldehyde SCHEMBL194323 | 0.70 | — | — | |
| Thiazole-5-Carbaldehyde SCHEMBL31458553 | 0.69 | — | — | |
| Thiazole-5-Carbaldehyde SCHEMBL28152513 | 0.69 | — | — | |
| SCHEMBL14153897 | 0.67 | — | — | |
| Thiazole-5-Carbaldehyde SCHEMBL27362558 | 0.67 | PIM1 (0.40) | PIM1CYP19A1CYP11B2HDAC8 | |
| SCHEMBL544073 | 0.66 | — | — | |
| SCHEMBL7765330 | 0.66 | — | — | |
| SCHEMBL26394964 | 0.65 | HDAC8 (0.37) | PIM1CYP19A1CYP11B2HDAC8NLRP3 | |
| SCHEMBL4395610 | 0.64 | — | — | |
| SCHEMBL28461031 | 0.62 | — | — |
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-1865940-B1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-02-13 | — | — | EP | claimed |