Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP9 | P55211 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7391291 | 0.87 | SCN5A (0.50) | ESR1GAANPSR1CASP3CASP7 | |
| SCHEMBL14754055 | 0.84 | ESR1 (0.46) | ESR1GAANPSR1CASP3CASP7 | |
| SCHEMBL14750655 | 0.81 | CD69 (0.46) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL2058956 | 0.80 | NLRP3 (0.57) | GAANPSR1NLRP3ALDH1A1KDM4E | |
| SCHEMBL14252839 | 0.78 | CA12 (0.55) | ESR1GAANPSR1CASP3CASP7 | |
| SCHEMBL7962735 | 0.76 | CASP3 (0.49) | ESR1GAANPSR1CASP3CASP7 | |
| SCHEMBL14252837 | 0.75 | USP2 (0.55) | ESR1GAANPSR1CASP3CASP7 | |
| SCHEMBL16784834 | 0.75 | ALDH1A1 (0.52) | ESR1GAANPSR1HPGDALDH1A1 | |
| SCHEMBL2037512 | 0.74 | HPGD (0.59) | ESR1GAANPSR1HPGDALDH1A1 | |
| SCHEMBL22542335 | 0.74 | HPGD (0.63) | ESR1GAANPSR1HPGDALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130059853-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2013-03-07 | — | — | US | disclosed |
| US-20130059853-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2013-03-07 | — | — | 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-20130059853-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | PDE3B, PDE3A, PDE4A | ESR1 3870/4885GAA 202/4885NPSR1 2546/4885 |
“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.