Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6580057 | 0.90 | HSD17B2 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13690602 | 0.90 | KDM4E (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1990526 | 0.85 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7635736 | 0.85 | KDM4E (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5917901 | 0.85 | KDM4E (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5152746 | 0.84 | HSD17B2 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12126791 | 0.84 | HSD17B2 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5917855 | 0.84 | KDM4E (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1340388 | 0.82 | HSD17B2 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1340275 | 0.82 | HSD17B2 (0.52) | CA12CA1CA2CA7CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1466603-A2 | Novel catechols as antimicrobial agents | Merck & Co., Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| EP-1176958-B1 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | MERCK & CO INC (US) | 2004-07-28 | — | — | EP | disclosed |
| US-6545015-B2 | Useful in therapy of bacterial infections, fungal infections | MERCK & CO., INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1176958-A4 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | MERCK & CO INC (US) | 2002-07-17 | — | — | EP | disclosed |
| US-20020040147-A1 | Useful in therapy of bacterial infections, fungal infections | HAMMOND MILTON L (US) | 2002-04-04 | — | — | US | disclosed |
| US-6348482-B1 | CONTROLLED RELEASE MICROBIOCIDES | MERCK & CO., INC. | 2002-02-19 | — | — | US | disclosed |
| EP-1176958-A1 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | Merck & Co., Inc. (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000066120-A1 | NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS | MERCK & CO., INC. (US) | 2000-11-09 | — | — | WO | 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-20020040147-A1 | Useful in therapy of bacterial infections, fungal infections | HAO1, TST, ARSA | CA12 3437/4885CA1 4389/4885CA2 2157/4885 |
“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.