Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | AHCY | P23526 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | FES | P07332 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19064641 | 0.84 | HTT (0.36) | CYP3A4TSHRRECQLCYP1A2CDK2 | |
| SCHEMBL18640373 | 0.80 | CYP3A4 (0.42) | CYP3A4TSHRRECQLCYP1A2CDK2 | |
| SCHEMBL17009433 | 0.80 | HTT (0.36) | CYP3A4TSHRRECQLCYP1A2CDK2 | |
| SCHEMBL2826232 | 0.78 | HDAC1 (0.37) | CYP3A4TSHRTP53HSD17B10AURKA | |
| SCHEMBL7668696 | 0.78 | CYP3A4 (0.59) | CYP3A4TSHRCYP1A2CDK2HTT | |
| SCHEMBL5066798 | 0.77 | HTT (0.42) | CYP3A4TSHRRECQLCYP1A2CDK2 | |
| SCHEMBL15730821 | 0.75 | KDM4E (0.42) | CYP3A4TSHRCYP1A2CDK2TP53 | |
| SCHEMBL18259658 | 0.75 | TP53 (0.41) | CYP3A4TSHRCYP1A2CDK2HTT | |
| SCHEMBL8826207 | 0.74 | HTT (0.59) | CYP3A4CYP1A2HTTTP53HSD17B10 | |
| SCHEMBL30479201 | 0.74 | HTT (0.59) | CYP3A4CYP1A2HTTTP53HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0394346-A4 | PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS | US HEALTH (US) | 1991-12-11 | — | — | EP | disclosed |
| EP-0394346-A1 | PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS | THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) | 1990-10-31 | — | — | EP | disclosed |
| WO-1989006235-A1 | PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) | 1989-07-13 | — | — | WO | disclosed |