Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22373751 | 0.88 | RAB9A (0.58) | CYP2A6TDP1HSD17B1HSD17B2MAPK14 | |
| SCHEMBL17996026 | 0.86 | CYP2A6 (0.81) | CYP2A6TDP1HSD17B1HSD17B2ESR1 | |
| SCHEMBL21201617 | 0.86 | CYP2A6 (0.58) | CYP2A6TDP1HSD17B1HSD17B2MAPK14 | |
| SCHEMBL4546992 | 0.86 | CTRC (0.51) | CYP2A6TDP1HSD17B1HSD17B2MAPK14 | |
| SCHEMBL18731958 | 0.85 | RAB9A (0.54) | CYP2A6TDP1HSD17B1HSD17B2MAPK14 | |
| SCHEMBL29629004 | 0.85 | TDP1 (0.58) | CYP2A6TDP1HSD17B1HSD17B2ESR1 | |
| SCHEMBL18731959 | 0.85 | CTRC (0.57) | CYP2A6TDP1HSD17B1HSD17B2MAPK14 | |
| SCHEMBL839035 | 0.84 | CYP2A6 (0.56) | CYP2A6TDP1HSD17B1HSD17B2ESR1 | |
| SCHEMBL22373729 | 0.84 | CYP1A1 (0.54) | CYP2A6TDP1MAPK14CYP1A2CYP3A4 | |
| SCHEMBL18260215 | 0.84 | HSD17B1 (0.71) | HSD17B1HSD17B2ESR1ESR2CYP17A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210070782-A1 | METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME | KOBELCO ECO-SOLUTIONS CO., LTD. (JP) | 2021-03-11 | — | — | US | disclosed |
| EP-3741764-A1 | SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR | Kobelco Eco-Solutions Co., Ltd (JP) | 2020-11-25 | — | — | EP | disclosed |
| US-6924301-B1 | Composition for treating or preventing arrhythmia | SHIONOGI & CO., LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| EP-0976748-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-1240906-A1 | PREVENTIVES OR REMEDIES FOR ARRHYTHMIA | SHIONOGI & CO., LTD. (JP) | 2002-09-18 | — | — | EP | disclosed |
| US-6147100-A | ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0976748-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2000-02-02 | — | — | EP | 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-20210070782-A1 | METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME | BRSK1, BRSK2, BRI3BP | CYP2A6 1680/4885TDP1 2918/4885HSD17B1 275/4885 |
“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.