Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | CPA3 | P15088 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL5105980 | 0.87 | TRPA1 (0.52) | TRPA1KDM4ELMNAMAPK1CYP1A2 | |
| SCHEMBL5097040 | 0.79 | TRPA1 (0.48) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL1833635 | 0.78 | TRPA1 (0.55) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL110343 | 0.78 | TRPA1 (0.50) | TRPA1ALPLPOLBALPGSLC6A2 | |
| SCHEMBL9327618 | 0.78 | TRPA1 (0.44) | TRPA1KDM4ELMNAMAPK1CYP1A2 | |
| SCHEMBL8425091 | 0.77 | TRPA1 (0.47) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL5868422 | 0.77 | TRPA1 (0.47) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL448011 | 0.77 | TRPA1 (0.56) | TRPA1CYP1A2TRPV1 | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.75 | TRPA1 (0.53) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL5617449 | 0.75 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1ALPLPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7396974-B2 | Oxidation using a non-enzymatic free radical system mediated by redox cycling chelators | UNIVERSITY OF MAINE (US) | 2008-07-08 | — | — | US | disclosed |
| US-20030186036-A1 | Oxidation using a non-enzymatic free radical system mediated by redox cycling chelators | UNIVERSITY OF MAINE | 2003-10-02 | — | — | US | disclosed |
| US-6046375-A | Degradation and protection of organic compounds mediated by low molecular weight chelators | THE BOARD OF TRUSTEES UNIVERSITY OF MAIN SYSTEM (US) | 2000-04-04 | — | — | US | disclosed |