Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.39 |
| ▸ | CCR4 | P51679 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11345753 | 0.85 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL11338196 | 0.81 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL2722703 | 0.79 | ALDH1A1 (0.60) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL28293706 | 0.76 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL20746918 | 0.76 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL12368476 | 0.76 | TDP1 (0.41) | S1PR1ALDH1A1CYP3A4THRBALOX15 | |
| SCHEMBL10395364 | 0.75 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL11346318 | 0.75 | S1PR1 (0.39) | S1PR1SMN1; SMN2ALDH1A1TP53HSP90AA1 | |
| SCHEMBL6466532 | 0.74 | CCR4 (0.35) | CCR4SMN1; SMN2ALDH1A1TP53HSP90AA1 | |
| SCHEMBL11442419 | 0.74 | ALDH1A1 (0.58) | SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4261926-A | REACTION WITH KETONE IN PRESENCE OF PLATINUM HYDROGENATION CATALYST AND A PROMOTER ACID | AMERICAN CYANAMID COMPANY (US) | 1981-04-14 | — | — | US | disclosed |