Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 12/20 | 0.60 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5702489 | 0.93 | CASP1 (0.54) | CASP1CTRB1ITGB3ITGA2B | |
| SCHEMBL11340396 | 0.88 | CTRB1 (0.54) | CASP1CTRB1ITGB3ITGA2BHTT | |
| SCHEMBL7063901 | 0.88 | CTRB1 (0.54) | CASP1CTRB1ITGB3ITGA2BHTT | |
| SCHEMBL9574079 | 0.88 | CASP1 (0.54) | CASP1ITGB3ITGA2B | |
| SCHEMBL7136060 | 0.87 | CTRB1 (0.66) | CASP1CTRB1HTTSYK | |
| SCHEMBL17816593 | 0.87 | CTSL (0.55) | CTRB1SYK | |
| SCHEMBL6649610 | 0.87 | HTT (0.63) | CASP1CTRB1HTT | |
| SCHEMBL19345761 | 0.87 | CTRB1 (0.53) | CASP1CTRB1ITGB3ITGA2B | |
| SCHEMBL6652290 | 0.87 | HTT (0.63) | CASP1CTRB1HTT | |
| SCHEMBL25302472 | 0.86 | CTRB1 (0.58) | CASP1CTRB1ITGB3ITGA2BSYK |
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-0561758-A2 | Method of preparing optically active homo-beta-amino acids | MONSANTO COMPANY (US) | 1993-09-22 | — | — | EP | disclosed |