Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.43 |
| ▸ | FDPS | P14324 | 8/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL10364795 | 0.98 | CES2 (0.43) | CES2GGPS1FDPS | |
| Hexane SCHEMBL8467539 | 0.98 | CES2 (0.43) | CES2GGPS1FDPS | |
| Hexane SCHEMBL3032232 | 0.98 | CES2 (0.43) | CES2GGPS1FDPS | |
| Hexane SCHEMBL6279172 | 0.98 | CES2 (0.43) | CES2GGPS1FDPS | |
| Heptane SCHEMBL3805263 | 0.92 | CES2 (0.45) | CES2CES1 | |
| Hexane SCHEMBL16758670 | 0.92 | CES2 (0.45) | CES2CES1 | |
| Hexane SCHEMBL15967387 | 0.92 | CES2 (0.45) | CES2CES1 | |
| Pentane SCHEMBL16758664 | 0.88 | CES2 (0.39) | CES2FDPSCES1 | |
| Pentane SCHEMBL16758665 | 0.88 | PAOX (0.42) | CES2CES1 | |
| SCHEMBL8897727 | 0.87 | CES2 (0.39) | CES2GGPS1FDPS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |