Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6788833 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL867160 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL8860952 | 0.82 | ALDH1A1 (0.40) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL4309745 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL19464883 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL866009 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL12936593 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL12277057 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL16707269 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 | |
| SCHEMBL12803239 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1527836-A | Antiviral agents for treatment of flaviviridae infections | — | 2004-09-08 | — | — | CN | disclosed |