Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | POLA1 | P09884 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | IAPP | P10997 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2081595 | 1.00 | TRPA1 (0.52) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL2600386 | 0.93 | TRPA1 (0.61) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL12833372 | 0.93 | TRPA1 (0.61) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL6060342 | 0.91 | POLB (0.61) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL11099793 | 0.90 | TRPA1 (0.60) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL11099789 | 0.90 | TRPA1 (0.60) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL14401623 | 0.85 | IAPP (0.41) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL12257167 | 0.85 | IAPP (0.41) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL29001471 | 0.81 | TRPA1 (0.52) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL30705405 | 0.80 | POLB (0.70) | TRPA1POLBPOLA1CES1CES2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2009-04-09 | — | — | US | disclosed |
| US-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2009-04-09 | — | — | US | disclosed |
| US-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2009-04-09 | — | — | 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-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | CYP11B2, DHCR7, ZDHHC7 | TRPA1 2510/4885POLB 1421/4885POLA1 847/4885 |
“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.