Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL394653 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL31597226 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL6230443 | 0.80 | CYP3A4 (0.41) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19TP53 | |
| SCHEMBL7059278 | 0.78 | CA2 (0.48) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL31612514 | 0.77 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL20457070 | 0.77 | CES1 (0.34) | TSHRTRPA1CES1CYP3A4 | |
| SCHEMBL4503429 | 0.77 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL11937169 | 0.77 | CES1 (0.38) | ALDH1A1TSHRPTGS1PTGS2CES1 | |
| SCHEMBL38656859 | 0.76 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL128936 | 0.76 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1SMN1; SMN2CYP2C9 |
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-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | claimed |