Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | BDKRB2 | P30411 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL153634 | 0.90 | BDKRB2 (0.48) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL105942 | 0.85 | ESR1 (0.51) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL28293993 | 0.84 | ESR1 (0.50) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| Formic Acid SCHEMBL28247722 | 0.84 | ALDH1A1 (0.44) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL1033135 | 0.83 | BDKRB2 (0.43) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL16809830 | 0.82 | BDKRB2 (0.39) | ALDH1A1BDKRB2CYP3A4CA2TSHR | |
| SCHEMBL15736896 | 0.82 | BDKRB2 (0.52) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL3704832 | 0.81 | ALDH1A1 (0.45) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL1498212 | 0.81 | CYP1A2 (0.42) | ALDH1A1BDKRB2TDP1CYP3A4CA2 | |
| SCHEMBL14394944 | 0.81 | LMNA (0.46) | ALDH1A1BDKRB2TDP1CYP3A4CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102812016-B | Organic electronic devices and polymers including photovoltaic cells and diketone-based polymers | SOLVAY USA INC. (US) | 2015-12-09 | — | — | CN | disclosed |
| CN-102812016-A | Organic electronic devices and polymers including photovoltaic cells and diketone-based polymers | PLEXTRONICS INC | 2012-12-05 | — | — | CN | disclosed |