Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | UBE2N | P61088 | 1/20 | 0.52 |
| ▸ | CASR | P41180 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17260677 | 0.91 | TDP1 (0.60) | CASP3SMN1; SMN2ALDH1A1TDP1UBE2N | |
| SCHEMBL11618643 | 0.83 | UBE2N (0.67) | CASP3SMN1; SMN2ALDH1A1TDP1UBE2N | |
| SCHEMBL15437771 | 0.83 | PARK7 (0.50) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL8040297 | 0.83 | PARK7 (0.68) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL7954280 | 0.81 | CASP3 (0.65) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL29724090 | 0.81 | CASP3 (0.86) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL1142116 | 0.81 | CASP3 (0.86) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL21147092 | 0.81 | CASP3 (0.59) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL10488508 | 0.81 | CASP3 (0.59) | CASP3SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL1128881 | 0.81 | CYP1B1 (0.59) | CASP3SMN1; SMN2KDM4EALDH1A1GAA |
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 |