Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2469790 | 0.88 | CA12 (0.42) | CYP3A4TSHRCA12CA1CA2 | |
| SCHEMBL941988 | 0.88 | CA12 (0.45) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL7194593 | 0.84 | MAPK1 (0.58) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL4608930 | 0.82 | MAOA (0.43) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL8153970 | 0.81 | MAOA (0.42) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL6568117 | 0.77 | ALDH1A1 (0.43) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL7184508 | 0.76 | ANXA2 (0.41) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL7189471 | 0.74 | CYP3A4 (0.35) | CYP3A4TSHRMAPK1CA12CA1 | |
| SCHEMBL7033576 | 0.73 | ALDH1A1 (0.50) | CYP3A4TSHRMAPK1SLC6A4MAOA | |
| SCHEMBL595756 | 0.73 | RHEB (0.36) | SLC6A4MAOAMAOBSLC6A2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082110-B1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-24 | — | — | EP | disclosed |
| CN-1303281-A | Application of compound in enhancing activity of pyruvate dehydrogenase | ASTRA ZENECA LTD (SE) | 2001-07-11 | — | — | CN | disclosed |