Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 4/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL6449439 | 0.90 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Propane SCHEMBL28233649 | 0.88 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Propane SCHEMBL27796760 | 0.88 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Butane SCHEMBL27989459 | 0.86 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Butane SCHEMBL28244852 | 0.86 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1930070 | 0.85 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL16094788 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1301471 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL457472 | 0.83 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Alcohol SCHEMBL5271349 | 0.83 | TDP1 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E |
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-20050143597-A1 | Process for producing carbonyl compound | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2005-06-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050143597-A1 | Process for producing carbonyl compound | MCCC2, CBR3, COASY | CYP3A4 281/4885TDP1 4157/4885ESR1 4752/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.