Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3334570 | 1.00 | PIN1 (0.64) | PIN1CYP1A2CYP3A4CYP2C19EGFR | |
| SCHEMBL25947633 | 0.82 | PIN1 (0.46) | PIN1CYP1A2CYP2C19ALDH1A1HTT | |
| SCHEMBL30378947 | 0.81 | LCK (0.46) | PIN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL26087125 | 0.81 | LCK (0.46) | PIN1ALDH1A1GAAMAPTHTT | |
| Phosphine SCHEMBL25950886 | 0.78 | PIN1 (0.46) | PIN1ALDH1A1GAAHTTKDM4E | |
| SCHEMBL29596360 | 0.76 | PIN1 (0.64) | PIN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL22895754 | 0.76 | PIN1 (0.64) | PIN1ALDH1A1GAAMAPTHTT | |
| SCHEMBL30875696 | 0.76 | PIN1 (0.44) | PIN1ALDH1A1HTT | |
| SCHEMBL18812797 | 0.76 | PIN1 (0.44) | PIN1ALDH1A1HTT | |
| SCHEMBL3332690 | 0.75 | PIN1 (0.66) | PIN1EGFRALDH1A1GAAHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116947764-B | Pyrimidamine NUAK inhibitor and preparation method and application thereof | 特科罗生物科技(成都)有限公司 | 2025-06-13 | — | — | CN | disclosed |
| WO-2025011444-A1 | PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 特科罗生物科技(成都)有限公司 | 2025-01-16 | — | — | WO | disclosed |
| CN-116947764-A | Pyrimidine amine NUAK inhibitor and preparation method and application thereof | 特科罗生物科技(成都)有限公司 | 2023-10-27 | — | — | CN | disclosed |