Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.58 |
| ▸ | CCND1 | P24385 | 6/20 | 0.58 |
| ▸ | PRKACA | P17612 | 2/20 | 0.58 |
| ▸ | PRKACG | P22612 | 2/20 | 0.58 |
| ▸ | PRKACB | P22694 | 2/20 | 0.58 |
| ▸ | MPO | P05164 | 5/20 | 0.54 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.54 |
| ▸ | MYLK | Q15746 | 2/20 | 0.53 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.49 |
| ▸ | PRKCG | P05129 | 3/20 | 0.49 |
| ▸ | PRKCB | P05771 | 3/20 | 0.49 |
| ▸ | PRKCA | P17252 | 3/20 | 0.49 |
| ▸ | PRKCH | P24723 | 3/20 | 0.49 |
| ▸ | PRKCI | P41743 | 3/20 | 0.49 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.49 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.49 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.49 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.49 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11729439 | 0.88 | MPO (0.56) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL11727414 | 0.87 | CDK4 (0.49) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL11735517 | 0.82 | CDK4 (0.58) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL11736542 | 0.76 | G6PD (0.48) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL5549601 | 0.75 | MPO (0.55) | MPOHAVCR2XDHALDH1A1TOP2A | |
| SCHEMBL8463787 | 0.74 | CDK4 (1.00) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL10704467 | 0.73 | ALDH1A1 (0.59) | MPOHAVCR2ALDH1A1TOP2AHTR6 | |
| SCHEMBL8112983 | 0.72 | MYLK (0.71) | CDK4CCND1PRKACAPRKACGPRKACB | |
| SCHEMBL25333651 | 0.72 | MPO (0.82) | MPOHAVCR2XDHALDH1A1 | |
| SCHEMBL11735390 | 0.72 | MPO (0.49) | CDK4CCND1PRKACAPRKACGPRKACB |
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-4014883-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-03-29 | — | — | US | disclosed |