Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4318969 | 0.85 | KMT2A (0.45) | KMT2A | |
| SCHEMBL9184834 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2HPGDCA1CA2 | |
| SCHEMBL6681972 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2HPGDCA1CA2 | |
| SCHEMBL3415124 | 0.78 | APOBEC3G (0.39) | GABRA1TSHRL3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL9492902 | 0.75 | GABRA1 (0.48) | GABRA1GABRB2TSHRKMT2AALDH1A1 | |
| SCHEMBL873677 | 0.75 | GABRA1 (0.54) | GABRA1GABRB2HPGDCA1CA2 | |
| SCHEMBL9118442 | 0.75 | GABRA1 (0.54) | GABRA1GABRB2HPGDCA1CA2 | |
| SCHEMBL8558576 | 0.75 | GABRA1 (0.48) | GABRA1GABRB2TSHRELANE | |
| SCHEMBL840750 | 0.75 | GABRA1 (0.64) | GABRA1GABRB2 | |
| SCHEMBL17864869 | 0.75 | ESR1 (0.40) | GABRA1GABRB2HPGDHTTCA1 |
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 |