Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.53 |
| ▸ | MERTK | Q12866 | 6/20 | 0.50 |
| ▸ | PDE5A | O76074 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8890172 | 0.99 | NPY5R (0.52) | NPY5RMERTKPDE5AHDAC1HDAC6 | |
| SCHEMBL8891826 | 0.86 | NPY5R (0.71) | NPY5RMERTK | |
| Hydrochloric Acid SCHEMBL8889262 | 0.85 | NPY5R (0.70) | NPY5RMERTK | |
| SCHEMBL8890639 | 0.79 | MERTK (0.63) | NPY5RMERTKUSP2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8901180 | 0.78 | MERTK (0.62) | NPY5RMERTKUSP2CYP1A2CYP3A4 | |
| SCHEMBL8892661 | 0.76 | MERTK (0.56) | MERTK | |
| SCHEMBL8899654 | 0.75 | NPY5R (0.56) | NPY5RMERTK | |
| SCHEMBL8890967 | 0.75 | NPY5R (0.74) | NPY5R | |
| Hydrochloric Acid SCHEMBL8890483 | 0.75 | MERTK (0.56) | MERTK | |
| SCHEMBL8891020 | 0.75 | PDE5A (0.40) | MERTKPDE5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020822-A1 | QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | claimed |