Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | MEN1 | O00255 | 4/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.75 |
| ▸ | MAPT | P10636 | 4/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Aristolochic D SCHEMBL29588367 | 0.90 | CDK2 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic D SCHEMBL26801941 | 0.90 | CDK2 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL30825061 | 0.86 | ALDH1A1 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL29518476 | 0.86 | ALDH1A1 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL166284 | 0.86 | ALDH1A1 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL29367530 | 0.86 | ALDH1A1 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL15535358 | 0.85 | ALDH1A1 (0.98) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL7456768 | 0.82 | CDK2 (0.68) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| 7-Hydroxy Aristolochic A SCHEMBL4557492 | 0.79 | CDK2 (1.00) | CDK2ALDH1A1MEN1KMT2AMAPT | |
| Aristolochic Acid SCHEMBL29968507 | 0.77 | ALDH1A1 (0.84) | CDK2ALDH1A1MEN1KMT2AMAPT |
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-114200059-B | Method for rapidly screening toxic alkaloids in Chinese herbal medicine based on UPLC-QTOF-MS technology combined UNIFI | 福州大学 | 2024-07-05 | — | — | CN | claimed |
| CN-118021925-A | Traditional Chinese medicine composition for treating intractable chronic cough | 首都医科大学附属北京胸科医院 | 2024-05-14 | — | — | CN | disclosed |