Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11100815 | 0.84 | CHRM5 (0.56) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL7952730 | 0.79 | CASP3 (0.55) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL4537702 | 0.78 | HCRTR1 (0.54) | ALDH1A1TSHRCHRM5HCRTR1HCRTR2 | |
| SCHEMBL4154508 | 0.76 | ALDH1A1 (0.61) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL28967239 | 0.73 | GSK3A (0.64) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL22980462 | 0.73 | CA1 (0.60) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL6225797 | 0.73 | CA2 (0.60) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL7793890 | 0.73 | CA1 (0.60) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL700041 | 0.72 | DAO (0.51) | ALDH1A1SLC6A4SLC6A3TSHRDAO | |
| SCHEMBL40440 | 0.72 | KMT2A (0.67) | 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 |