Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 6/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.54 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8626322 | 0.91 | CES2 (0.64) | CES2CES1CA1CA2CA12 | |
| SCHEMBL3959767 | 0.85 | MAPT (0.57) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL1866929 | 0.82 | CA1 (0.60) | CES2CES1CA1CA2CA12 | |
| SCHEMBL9782361 | 0.82 | CES2 (0.56) | CES2CES1CA1CA2CA12 | |
| SCHEMBL28115996 | 0.80 | CES2 (0.54) | CES2CES1CA1CA2CA12 | |
| SCHEMBL2957320 | 0.78 | ALDH1A1 (0.70) | CES2CES1CA1CA2CA12 | |
| SCHEMBL41021 | 0.78 | CA1 (0.65) | CES2CES1CA1CA2CA12 | |
| SCHEMBL9781908 | 0.77 | NR1I2 (0.63) | CES2CES1CA1CA2CA12 | |
| SCHEMBL27258000 | 0.77 | CES2 (0.50) | CES2CES1CA1CA2CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL27700725 | 0.76 | CA1 (0.85) | CES2CES1CA1CA2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3515884-A2 | HOLE TRANSPORTING ORGANIC MOLECULES CONTAINING ENAMINE GROUPS FOR OPTOELECTRONIC AND PHOTOELECTROCHEMICAL DEVICES | Kauno Technologijos Universitetas (LT) | 2019-07-31 | — | — | EP | claimed |
| CN-109758438-A | The purposes and preparation method of pinosylvin | 南通大学 | 2019-05-17 | — | — | CN | claimed |
| WO-2018051278-A2 | HOLE TRANSPORTING ORGANIC MOLECULES CONTAINING ENAMINE GROUPS FOR OPTOELECTRONIC AND PHOTOELECTROCHEMICAL DEVICES | Kauno technologijos universitetas (LT) | 2018-03-22 | — | — | WO | claimed |
| CN-109758438-A | The purposes and preparation method of pinosylvin | 南通大学 | 2019-05-17 | — | — | CN | disclosed |