Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL393190 | 0.85 | TSHR (0.50) | CYP2A6ALDH1A1FFAR1IMPDH2IMPDH1 | |
| SCHEMBL7786851 | 0.85 | TRPA1 (0.32) | FFAR1 | |
| SCHEMBL23235784 | 0.79 | CYP2A6 (0.43) | CYP2A6ALDH1A1FFAR1IMPDH2IMPDH1 | |
| SCHEMBL7349772 | 0.78 | IMPDH2 (0.39) | CYP2A6ALDH1A1IMPDH2IMPDH1CA1 | |
| Butane SCHEMBL9292630 | 0.78 | TSHR (0.43) | CYP2A6ALDH1A1FFAR1IMPDH2IMPDH1 | |
| SCHEMBL6212888 | 0.75 | TRPV4 (0.44) | FFAR1IMPDH2IMPDH1CA1CA2 | |
| SCHEMBL1436903 | 0.75 | CYP2A6 (0.52) | CYP2A6ALDH1A1FFAR1IMPDH2IMPDH1 | |
| SCHEMBL29814587 | 0.75 | CYP2A6 (0.52) | CYP2A6ALDH1A1FFAR1IMPDH2IMPDH1 | |
| SCHEMBL1967552 | 0.75 | CYP3A4 (0.46) | CYP2A6ALDH1A1FFAR1ARCA1 | |
| SCHEMBL17796253 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1IMPDH2IMPDH1AR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214287-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | claimed |
| WO-2001017942-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | claimed |
| WO-2016155831-A1 | ISOXAZOLINE-STYRENE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-10-06 | — | — | WO | disclosed |
| US-6878712-B1 | Amides as inhibitors for pyruvate dehydrogenase | ASTRAZENECA AB (SE) | 2005-04-12 | — | — | US | disclosed |
| EP-1214287-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017942-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |