Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7952730 | 0.82 | CASP3 (0.55) | ALDH1A1CASP3CA1CA2CA4 | |
| SCHEMBL8777049 | 0.79 | LMNA (0.72) | LMNAALDH1A1NR1H2NR1H3KDM4E | |
| SCHEMBL476943 | 0.77 | KMT2A (0.76) | LMNAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2445257 | 0.76 | TDP1 (0.51) | KMT2ACASP3MAPTSMN1; SMN2TDP1 | |
| SCHEMBL7957008 | 0.74 | ADRA1D (0.62) | ALDH1A1KMT2ACASP3CA1CA2 | |
| SCHEMBL7956763 | 0.73 | CASP3 (0.55) | LMNAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3193194 | 0.73 | LMNA (0.57) | LMNAALDH1A1KMT2ACASP3CA1 | |
| SCHEMBL27721810 | 0.72 | MMP2 (0.43) | LMNAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7954280 | 0.71 | CASP3 (0.65) | LMNAALDH1A1CASP3CA1CA2 | |
| SCHEMBL11743353 | 0.71 | ALDH1A1 (0.69) | LMNAALDH1A1NR1H2NR1H3RAB9A |
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 |