Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 13/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CAPNS1 | P04632 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808490 | 0.86 | CAPN1 (0.38) | EPHX1CAPN1CYP3A4TSHRCYP2C19 | |
| SCHEMBL8807979 | 0.84 | CTSK (0.43) | CAPN1CAPNS1 | |
| SCHEMBL8810844 | 0.82 | SMN1; SMN2 (0.39) | CAPN1CAPNS1 | |
| SCHEMBL8809624 | 0.81 | CTSL (0.40) | CAPN1 | |
| SCHEMBL8406530 | 0.81 | CAPN1 (0.55) | CAPN1HDAC4HDAC1CAPNS1 | |
| SCHEMBL8406535 | 0.81 | CAPN1 (0.55) | CAPN1HDAC4HDAC1CAPNS1 | |
| SCHEMBL8807756 | 0.81 | ACACB (0.36) | CAPN1CYP2C19 | |
| SCHEMBL8811209 | 0.79 | LMNA (0.39) | CAPN1CYP2C19 | |
| SCHEMBL8408073 | 0.77 | EPHX1 (0.37) | EPHX1CAPN1 | |
| SCHEMBL8810652 | 0.77 | CAPN1 (0.48) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0925786-A1 | REMEDIES FOR ISCHEMIC DISEASES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-06-30 | — | — | EP | disclosed |
| EP-0810221-A1 | OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |