Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 6/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | FAAH | O00519 | 8/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22118490 | 0.92 | ALDH1A1 (0.48) | ALDH1A1CES1CES2FAAHDGKA | |
| SCHEMBL17374772 | 0.89 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL8664963 | 0.88 | ALDH1A1 (0.65) | ALDH1A1CES1CES2FAAHMEN1 | |
| SCHEMBL195017 | 0.80 | ALDH1A1 (0.83) | ALDH1A1CES1CES2DGKALMNA | |
| SCHEMBL27500855 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CES1CES2FAAHMEN1 | |
| SCHEMBL27625538 | 0.78 | DGKA (0.47) | ALDH1A1CES1CES2FAAHDGKA | |
| SCHEMBL18126485 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKAMEN1 | |
| SCHEMBL18126411 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKAMEN1 | |
| SCHEMBL28536122 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKAMEN1 | |
| SCHEMBL871384 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CES1CES2DGKALMNA |
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-101896492-B | Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof | INST OF MATARIA MEDICA CHINESE | 2015-05-06 | — | — | CN | disclosed |