Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | PDE1A | P54750 | 1/20 | 0.52 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.52 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11216038 | 0.75 | ADORA1 (0.48) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL12524814 | 0.72 | PDE4D (0.59) | ALDH1A1PDE4DKDM4ESMN1; SMN2ADORA2B | |
| Oxagrelate SCHEMBL563693 | 0.68 | ADORA1 (1.00) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| Oxagrelate SCHEMBL29467790 | 0.68 | ADORA1 (1.00) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL29078846 | 0.68 | CYP3A4 (0.58) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL7362801 | 0.67 | POLB (0.60) | ALDH1A1PDE4DKDM4ECYP3A4TDP1 | |
| SCHEMBL5988684 | 0.67 | ALDH1A1 (0.54) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL4105190 | 0.66 | ALDH1A1 (0.61) | ALDH1A1KDM4ECYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL679558 | 0.66 | ALDH1A1 (1.00) | ADORA1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL1296287 | 0.66 | CYP3A4 (0.56) | ALDH1A1PDE4DKDM4ECYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57200367-A | — | — | None | — | — | JP | disclosed |
| JP-S57200367-A | NOVEL 2(1H)-QUINAZOLINONE DERIVATIVE | ISHIKAWA MASAYUKI | 1982-12-08 | — | — | JP | disclosed |