Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.52 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.51 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.51 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3959188 | 1.00 | CCNB2 (0.52) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3959185 | 0.79 | NR1H4 (0.60) | KDM4EALDH1A1RECQLKMT2AMEN1 | |
| SCHEMBL17318680 | 0.77 | RECQL (0.45) | LMNAALDH1A1RECQLKMT2AMEN1 | |
| SCHEMBL17318679 | 0.77 | RECQL (0.45) | LMNAALDH1A1RECQLKMT2AMEN1 | |
| SCHEMBL17318678 | 0.77 | RECQL (0.45) | LMNAALDH1A1RECQLKMT2AMEN1 | |
| SCHEMBL27252480 | 0.77 | CCNB2 (0.47) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL16303657 | 0.77 | CCNB2 (0.47) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3960454 | 0.76 | LMNA (0.46) | PTGER1PTGER4PTGER3PTGER2LMNA | |
| SCHEMBL3967797 | 0.76 | KDM4E (0.56) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3520152 | 0.76 | LMNA (0.46) | PTGER1PTGER4PTGER3PTGER2LMNA |
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-115385886-B | AcrB efflux pump inhibitor and preparation method and application thereof | 山东大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-108822095-B | Benzo [ h ] chromene compound and application thereof as AcrB efflux pump inhibitor in antibiosis | 山东大学 | 2020-05-01 | — | — | CN | disclosed |
| CN-108822095-A | Benzo [h] chromene compound and its application as AcrB efflux pump inhibitor in antibacterial | 山东大学 | 2018-11-16 | — | — | CN | disclosed |