Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 2/20 | 0.51 |
| ▸ | MMP9 | P14780 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9677874 | 0.85 | CHRM5 (0.60) | CASP3CA1CA2CA9KDM4E | |
| SCHEMBL19514029 | 0.82 | GRM2 (0.48) | KCNH2SCN5ASCN9A | |
| SCHEMBL1059677 | 0.82 | CASP3 (0.58) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL7944158 | 0.82 | LMNA (0.52) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL2358665 | 0.81 | RAB9A (0.70) | MMP2MMP9RAB9AALDH1A1MAPT | |
| SCHEMBL29168851 | 0.80 | RAB9A (0.68) | CASP3RAB9AALDH1A1GAA | |
| SCHEMBL8497862 | 0.80 | CASP3 (0.64) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL7957008 | 0.80 | ADRA1D (0.62) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL30758623 | 0.80 | RAB9A (0.68) | CASP3RAB9AALDH1A1GAA | |
| SCHEMBL7952768 | 0.79 | CA1 (0.51) | CA1CA2CA4CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6232475-B1 | REACTING A SUBSTITUTED BROMOBENZENE WITH N-VINYLIMIDE; CATALYTIC HYDROGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-05-15 | — | — | US | disclosed |
| EP-1013637-A2 | Process for the preparation of fluor containing phenethylamines and fluor containing beta-iminovinyl- and beta-iminoethylphenyl compounds | Bayer Aktiengesellschaft (DE) | 2000-06-28 | — | — | EP | disclosed |