Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.55 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.50 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.50 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.46 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 1/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | BCL2 | P10415 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7404441 | 0.95 | KLK7 (0.51) | CASP1PSMB1PSMB8PSMB9PSMB5 | |
| SCHEMBL7404443 | 0.83 | PSMB1 (0.47) | PSMB1PSMB8PSMB9PSMB5CA2 | |
| SCHEMBL9214875 | 0.83 | CTSS (0.51) | PSMB1PSMB8PSMB9PSMB5CA2 | |
| SCHEMBL8765617 | 0.80 | MEN1 (0.59) | CASP1CTSSCTSKHDAC8KLK5 | |
| SCHEMBL8766135 | 0.80 | MEN1 (0.59) | CASP1CTSSCTSKHDAC8KLK5 | |
| SCHEMBL26294280 | 0.79 | CA5A (0.55) | CA2CTSSCTSKCA5ACTSL | |
| SCHEMBL5996732 | 0.78 | CTSK (0.61) | CA2CTSSCTSKKLK7KLK5 | |
| SCHEMBL9223995 | 0.78 | ITGB3 (0.46) | CASP1HDAC8CA5A | |
| SCHEMBL7365496 | 0.78 | ITGB3 (0.41) | CASP1HDAC8CA5A | |
| SCHEMBL9224778 | 0.78 | PSMB5 (0.51) | PSMB1PSMB8PSMB9PSMB5CA2 |
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-5430024-A | Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| US-5273982-A | An amidinoaryleneamidoalkylpiperazinyleneacetic acid | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |