Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 7/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 6/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL4368420 | 0.80 | KCNH2 (0.36) | TDP1SPHK2ESR1TSHRALDH1A1 | |
| SCHEMBL1835580 | 0.79 | ESR1 (0.61) | CA2ESR1TSHRCYP3A4 | |
| SCHEMBL1671178 | 0.77 | CA2 (0.50) | CYP4A11CYP4F2PPARACA2TDP1 | |
| SCHEMBL1738833 | 0.75 | IDO1 (0.40) | ESR1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL4368413 | 0.75 | ESR1 (0.40) | TDP1ESR1TSHRALDH1A1CYP3A4 | |
| SCHEMBL8880437 | 0.74 | CYP4A11 (0.54) | CYP4A11CYP4F2PPARACA2CA1 | |
| SCHEMBL872871 | 0.74 | SLC6A2 (0.54) | PPARATSHRALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27541453 | 0.73 | CA2 (0.46) | CYP4A11CYP4F2PPARACA2TDP1 | |
| SCHEMBL40656 | 0.72 | CA2 (0.77) | CYP4A11CYP4F2PPARACA2TDP1 | |
| Ammonia Solution, Strong SCHEMBL27418091 | 0.71 | SLC6A2 (0.50) | PPARATSHRKDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009059944-A1 | ELECTROCHEMICAL METHOD FOR PRODUCING BENZALDEHYDE DIMETHYL ACETYLENE | BASF SE (DE) | 2009-05-14 | — | — | WO | disclosed |