Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5273424 | 0.88 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL5281926 | 0.78 | MTNR1A (0.49) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL8619645 | 0.77 | MEN1 (0.45) | CYP1A2CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL5273127 | 0.77 | GAA (0.52) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL27559070 | 0.73 | CYP3A4 (0.40) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL6881329 | 0.71 | CA2 (0.38) | KDM4EALDH1A1LMNAL3MBTL1MAPK1 | |
| SCHEMBL5275844 | 0.70 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL7384707 | 0.68 | HTT (0.51) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL7244019 | 0.68 | TSHR (0.44) | KDM4EALDH1A1LMNAL3MBTL1HTT | |
| SCHEMBL7425744 | 0.68 | GAA (0.50) | CYP1A2CYP3A4CYP2C19ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0842196-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1998-05-20 | — | — | EP | disclosed |