Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688426 | 0.79 | DGAT1 (0.37) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL5547017 | 0.77 | DGAT1 (0.36) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL494582 | 0.77 | DGAT1 (0.41) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL27639930 | 0.77 | HDAC3 (0.38) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL140084 | 0.76 | — | — | |
| SCHEMBL2173720 | 0.75 | TSHR (0.42) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL6935674 | 0.75 | ALDH1A1 (0.38) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL3895073 | 0.75 | DGAT1 (0.34) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 | |
| SCHEMBL13907508 | 0.75 | APLNR (0.36) | DGAT1CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL4158073 | 0.75 | DGAT1 (0.34) | DGAT1CYP2D6MTNR1AMTNR1BHDAC3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1727811-B1 | NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF | SHIRE ORPHAN THERAPIES GMBH (DE) | 2014-11-12 | — | — | EP | disclosed |