Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | SELL | P14151 | 1/20 | 0.34 |
| ▸ | SELP | P16109 | 1/20 | 0.34 |
| ▸ | SELE | P16581 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 8/20 | 0.34 |
| ▸ | CNR2 | P34972 | 8/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL55598 | 0.90 | ALDH1A1 (0.60) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL56845 | 0.84 | ALDH1A1 (0.48) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL11030894 | 0.84 | ALDH1A1 (0.54) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL3131237 | 0.84 | SMN1; SMN2 (0.72) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL3812725 | 0.81 | HSPA5 (0.70) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL1174207 | 0.81 | HSPA5 (0.55) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL7189472 | 0.80 | SMN1; SMN2 (0.40) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| Piperazine SCHEMBL10570470 | 0.79 | ALDH1A1 (0.48) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL4886301 | 0.79 | SMN1; SMN2 (0.77) | SMN1; SMN2CA2ALDH1A1POLBTYR | |
| SCHEMBL30782815 | 0.79 | SMN1; SMN2 (0.77) | SMN1; SMN2CA2ALDH1A1POLBTYR |
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-5633418-A | CATALYTIC DIMERIZATION OF OLEFIN IN PRESENCE OF ORGANONICKEL, ORGANOALUMINUM AND ORGANOPHOSPHITE COMPOUNDS USED AS CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-05-27 | — | — | US | disclosed |