Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 5/20 | 0.45 |
| ▸ | CAPNS1 | P04632 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 5/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8407608 | 0.94 | CAPN1 (0.49) | CAPN1CAPNS1ITGAVITGB3ALDH1A1 | |
| SCHEMBL8407600 | 0.94 | CAPN1 (0.49) | CAPN1CAPNS1ITGAVITGB3ALDH1A1 | |
| SCHEMBL8810462 | 0.87 | CAPN1 (0.48) | CAPN1CAPNS1ITGAVITGB3 | |
| SCHEMBL8810452 | 0.87 | CAPN1 (0.48) | CAPN1CAPNS1ITGAVITGB3 | |
| SCHEMBL8810089 | 0.81 | CAPN1 (0.49) | CAPN1CAPNS1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL8810081 | 0.81 | CAPN1 (0.49) | CAPN1CAPNS1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL8404264 | 0.81 | CAPN1 (0.55) | CAPN1CAPNS1ITGAVITGB3 | |
| SCHEMBL8404260 | 0.81 | CAPN1 (0.55) | CAPN1CAPNS1ITGAVITGB3 | |
| SCHEMBL8404242 | 0.79 | CAPN1 (0.54) | CAPN1CAPNS1KMT2A | |
| SCHEMBL8809931 | 0.79 | CAPN1 (0.58) | CAPN1CAPNS1 |
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-0810221-A1 | OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |