Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1623229 | 0.79 | HCAR2 (0.69) | HCAR2PDE5ADAOTUBB4ATUBB | |
| SCHEMBL1624581 | 0.79 | HCAR2 (0.74) | HCAR2ALDH1A1KMT2A | |
| SCHEMBL1867573 | 0.73 | HCAR2 (0.63) | HCAR2 | |
| SCHEMBL1871317 | 0.71 | HCAR2 (0.62) | HCAR2 | |
| SCHEMBL1624709 | 0.70 | TNKS (0.46) | HCAR2PDE5ASMN1; SMN2 | |
| SCHEMBL1623385 | 0.68 | PDE5A (0.44) | HCAR2PDE5A | |
| SCHEMBL1623347 | 0.67 | PDE5A (0.50) | HCAR2ALDH1A1PDE5AKMT2A | |
| SCHEMBL1625617 | 0.65 | HCAR2 (0.74) | HCAR2PDE5A | |
| SCHEMBL1624712 | 0.65 | HCAR2 (0.74) | HCAR2ALDH1A1PDE5ASMN1; SMN2 | |
| SCHEMBL15754219 | 0.64 | L3MBTL1 (0.64) | ALDH1A1MMP1MMP7MMP8MMP12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7928106-B2 | 2-[2-(2,5-Difluoro-phenyl)-ethoxymethyl]-3H-pteridin-4-one; 2-2-(3-Fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one; (5-Oxo-5,6-dihydro-pyrimido[4,5-c]pyridazin-7-ylmethyl)-carbamic acid benzyl ester, useful in treating diseases which are modulated by HM74A agonists e.g. dyslipidemia | HOFFMANN-LA ROCHE INC. (US) | 2011-04-19 | — | — | US | disclosed |