Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 11/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27041289 | 0.92 | MEN1 (0.47) | TNFTRPV1KDM4EGAAMEN1 | |
| SCHEMBL27041273 | 0.92 | MEN1 (0.47) | TNFTRPV1KDM4EGAAMEN1 | |
| SCHEMBL642750 | 0.84 | TNF (0.56) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4338284 | 0.84 | TNF (0.56) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27057129 | 0.84 | MEN1 (0.49) | TNFTRPV1KDM4EGAAMEN1 | |
| SCHEMBL27057151 | 0.78 | TRPV1 (0.52) | TRPV1KDM4EGAAMEN1POLB | |
| SCHEMBL6128121 | 0.78 | KDM4E (0.62) | TRPV1KDM4EGAAMEN1POLB | |
| SCHEMBL4336232 | 0.77 | TNF (0.50) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL642824 | 0.77 | TNF (0.50) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27057164 | 0.77 | TRPV1 (0.48) | TRPV1KDM4EGAAMEN1POLB |
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-116444447-B | SOS1 and HDAC double-target quinazoline hydroxamic acid compound as well as preparation method and application thereof | 中国药科大学 | 2023-09-22 | — | — | CN | disclosed |
| CN-116444447-A | SOS1 and HDAC double-target quinazoline hydroxamic acid compound as well as preparation method and application thereof | 中国药科大学 | 2023-07-18 | — | — | CN | disclosed |