Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.65 |
| ▸ | GSK3B | P49841 | 4/20 | 0.47 |
| ▸ | GSK3A | P49840 | 3/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29974223 | 1.00 | PIN1 (0.65) | PIN1GSK3BGSK3AAURKAALDH3A1 | |
| SCHEMBL29973929 | 0.86 | PIN1 (0.59) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL28877947 | 0.86 | PIN1 (0.59) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL15145623 | 0.84 | PIN1 (0.70) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL14763873 | 0.83 | PIN1 (0.65) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL12726709 | 0.82 | PIN1 (0.75) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL28877888 | 0.82 | PIN1 (0.79) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL29974061 | 0.82 | PIN1 (0.79) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL16014941 | 0.82 | PIN1 (0.67) | PIN1GSK3BGSK3AAURKAKMT2A | |
| SCHEMBL29974113 | 0.80 | GSK3B (0.45) | PIN1GSK3BGSK3AAURKAALDH3A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115141202-A | Pyrimidopyrazinone compounds and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-10-04 | — | — | CN | disclosed |