Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SCN4A | P35499 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SCN1A | P35498 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21600931 | 0.85 | ACHE (0.43) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL24299303 | 0.82 | CA1 (0.36) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL31407237 | 0.75 | CYP3A4 (0.30) | CYP3A4 | |
| SCHEMBL23134995 | 0.75 | RAPGEF4 (0.40) | CA1CA2ALDH1A1HTR2ASLC6A4 | |
| SCHEMBL8285909 | 0.75 | RAPGEF4 (0.40) | CA1CA2ALDH1A1HTR2ASLC6A4 | |
| SCHEMBL8286108 | 0.75 | HTR2A (0.43) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL2402396 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP2A6TSHRALDH1A1HTR2A | |
| SCHEMBL21187891 | 0.73 | CA1 (0.40) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL2402249 | 0.73 | SLC6A4 (0.50) | TSHRACHEALDH1A1HTR2ASLC6A4 | |
| SCHEMBL2401908 | 0.73 | HDAC6 (0.40) | ACHESCN8ASCN1ASCN5AKCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835427-B2 | Fungicidal heterocyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| EP-2358709-B1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | DU PONT (US) | 2014-01-22 | — | — | EP | disclosed |
| US-8618137-B2 | Fungicidal heterocyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-12-31 | — | — | US | disclosed |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-06 | — | — | US | disclosed |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2011-09-15 | — | — | 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 (2 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-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | NOX1, XDH, CBR1 | CA1 2379/4885CA2 1349/4885CA7 2873/4885 |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | CYP1B1, NOX3, CYP1A1 | CA1 1527/4885CA2 751/4885CA7 1869/4885 |
“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.