Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 4/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6834512 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL9686667 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL9687531 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11046044 | 0.75 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL9687488 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11043536 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11039758 | 0.71 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11040009 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL3438767 | 0.70 | CES1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL27446496 | 0.70 | SMN1; SMN2 (0.48) | ALDH1A1CYP2C9CYP2C19CYP3A4SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-0557131-B1 | Process for making a polymer-supported catalyst | ROHM & HAAS (US) | 1998-03-25 | — | — | EP | claimed |