Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 4/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213463 | 0.85 | PDE5A (0.49) | PDE5AMAPTCYP3A4KDM4EABL1 | |
| SCHEMBL28491744 | 0.85 | KMT2A (0.37) | NQO2MAPTGAANSD2MEN1 | |
| SCHEMBL25165628 | 0.83 | NQO2 (0.35) | NQO2ERN1NSD2CASP6ALOX5 | |
| SCHEMBL22715357 | 0.78 | NQO2 (0.44) | NQO2MAPTERN1GAAALOX5 | |
| SCHEMBL29091649 | 0.76 | ALDH1A1 (0.49) | NQO2MAPTCYP3A4KDM4EMEN1 | |
| SCHEMBL29091598 | 0.72 | CYP3A4 (0.42) | NQO2CYP3A4CA1CA2ERN1 | |
| SCHEMBL30615102 | 0.72 | CYP3A4 (0.42) | NQO2CYP3A4CA1CA2ERN1 | |
| SCHEMBL28493970 | 0.72 | PDE5A (0.39) | NQO2PDE5AMAPTCYP3A4CA1 | |
| SCHEMBL29091623 | 0.71 | ERN1 (0.42) | NQO2CYP3A4ERN1KDM4EPOLB | |
| SCHEMBL30615098 | 0.71 | ADORA2A (0.35) | PDE5ACYP3A4RETKIF5BKDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-112110918-B | Spiro substituted pyrimido cyclic compounds, process for their preparation and their use in medicine | 劲方医药科技(上海)有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-112110918-A | Spiro-substituted pyrimido-cyclic compounds, preparation method and medical application thereof | 劲方医药科技(上海)有限公司 | 2020-12-22 | — | — | CN | disclosed |