Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 8/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890748 | 0.88 | NPY5R (0.67) | PIN1NPY5RSLC2A1MERTK | |
| SCHEMBL8890470 | 0.84 | NPY5R (0.70) | PIN1NPY5RKDM1AABCC1ABCG2 | |
| SCHEMBL8889582 | 0.84 | NPY5R (0.76) | NPY5RABCC1ABCG2ALDH1A1MAPT | |
| SCHEMBL8889731 | 0.81 | NPY5R (0.59) | PIN1NPY5RKDM4EALDH1A1GAA | |
| SCHEMBL8891586 | 0.80 | NPY5R (0.65) | NPY5RPDE5AABCG2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8901384 | 0.79 | NPY5R (0.64) | NPY5RPDE5AABCG2KDM4EALDH1A1 | |
| SCHEMBL8889728 | 0.75 | NPY5R (0.70) | NPY5RKDM4EALDH1A1GAAMAPT | |
| SCHEMBL8899488 | 0.75 | NPY5R (0.69) | NPY5RSLC2A1MERTK | |
| SCHEMBL8891004 | 0.75 | NPY5R (0.62) | PIN1NPY5RLRRK2PDE4B | |
| Hydrochloric Acid SCHEMBL8900880 | 0.74 | NPY5R (0.68) | NPY5RSLC2A1POLBMERTK |
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 |