Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7726493 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL8948684 | 0.82 | SMN1; SMN2 (0.34) | CYP3A4CYP1A2CYP2D6SMN1; SMN2HSD11B1 | |
| SCHEMBL8948667 | 0.80 | SMN1; SMN2 (0.50) | KDM4ESMN1; SMN2HSD11B1CPN1CPB2 | |
| SCHEMBL23132323 | 0.79 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL12423926 | 0.79 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL23114345 | 0.79 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL11647949 | 0.77 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL27511929 | 0.77 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2D6KDM4EGAA | |
| SCHEMBL8948820 | 0.76 | ALDH1A1 (0.58) | CYP3A4CYP1A2CYP2D6KDM4EBCHE | |
| SCHEMBL15292513 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5532255-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |