Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 9/20 | 0.41 |
| ▸ | RAF1 | P04049 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25004691 | 0.92 | NT5E (0.39) | NT5ERAF1 | |
| SCHEMBL23994511 | 0.90 | NT5E (0.39) | NT5ERAF1ALDH1A1CCNE1CDK2 | |
| SCHEMBL24515123 | 0.89 | NT5E (0.41) | NT5ERAF1ALDH1A1CCNE1CDK2 | |
| SCHEMBL25004811 | 0.89 | NT5E (0.37) | NT5ERAF1ALDH1A1 | |
| SCHEMBL24514914 | 0.88 | NT5E (0.41) | NT5EALDH1A1CCNE1CDK2 | |
| SCHEMBL23992789 | 0.88 | NT5E (0.42) | NT5ERAF1ALDH1A1CCNE1CDK2 | |
| SCHEMBL23993710 | 0.86 | NT5E (0.41) | NT5E | |
| SCHEMBL23994770 | 0.86 | NT5E (0.41) | NT5E | |
| SCHEMBL24514837 | 0.86 | CCNE1 (0.43) | NT5ERAF1ALDH1A1CCNE1CDK2 | |
| SCHEMBL24514959 | 0.86 | CCNE1 (0.45) | NT5ERAF1ALDH1A1CCNE1CDK2 |
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-116134029-A | Oxo-nitrogen ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-05-16 | — | — | CN | disclosed |
| WO-2022121914-A1 | OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2022-06-16 | — | — | WO | disclosed |