Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7304869 | 0.99 | KIF11 (0.46) | KIF11CA2LMNATLR2GRIK1 | |
| SCHEMBL7303633 | 0.93 | KIF11 (0.50) | KIF11CA2TLR2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7303629 | 0.92 | KIF11 (0.49) | KIF11TLR2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6159824 | 0.84 | GRIK1 (0.55) | KIF11CA2GRIK1NOS1 | |
| SCHEMBL1839764 | 0.82 | METAP2 (0.52) | KIF11CYP2C19LTA4H | |
| SCHEMBL2553802 | 0.82 | METAP2 (0.52) | KIF11CYP2C19LTA4H | |
| SCHEMBL4141148 | 0.82 | METAP2 (0.52) | KIF11CYP2C19LTA4H | |
| SCHEMBL34463715 | 0.82 | KIF11 (0.46) | KIF11LMNACYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL3119114 | 0.81 | METAP2 (0.51) | KIF11LTA4H | |
| Hydrochloric Acid SCHEMBL4141147 | 0.81 | METAP2 (0.51) | KIF11LTA4H |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |