Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7869419 | 1.00 | CYP3A4 (0.33) | CYP3A4HTTSMN1; SMN2SMYD2ALDH1A1 | |
| SCHEMBL7868285 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL34475200 | 0.83 | CYP3A4 (0.34) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL7868275 | 0.81 | CYP3A4 (0.33) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL7869965 | 0.81 | CYP3A4 (0.33) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL7868282 | 0.81 | CYP3A4 (0.33) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL12047346 | 0.81 | TBXAS1 (0.37) | — | |
| SCHEMBL1750989 | 0.81 | TBXAS1 (0.37) | — | |
| SCHEMBL23689304 | 0.80 | TRPA1 (0.41) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL14481752 | 0.80 | TRPA1 (0.41) | CYP3A4HTTSMN1; SMN2SMYD2 |
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-0657458-B1 | Protein kinase C inhibitors | LILLY CO ELI (US) | 2001-08-22 | — | — | EP | disclosed |