Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28563031 | 0.87 | HDAC6 (0.32) | HDAC6HDAC1HDAC2 | |
| SCHEMBL23564665 | 0.80 | HDAC6 (0.36) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL16932541 | 0.78 | HDAC6 (0.35) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL20031069 | 0.78 | CTSK (0.35) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL1456150 | 0.77 | AAK1 (0.34) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL27904984 | 0.77 | HDAC6 (0.34) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL953166 | 0.76 | MMP13 (0.39) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL13335431 | 0.76 | AAK1 (0.36) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL17571449 | 0.76 | HDAC6 (0.33) | HDAC6HDAC1HDAC2AAK1MMP13 | |
| SCHEMBL1162878 | 0.76 | MMP13 (0.39) | HDAC6HDAC1HDAC2AAK1MMP13 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112920065-B | Benzil compound and preparation method and application thereof | 上海中医药大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-112920065-A | Benzil compound and preparation method and application thereof | 上海中医药大学 | 2021-06-08 | — | — | CN | disclosed |
| EP-0947515-A1 | NOVEL NAPHTHYRIDINE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1999-10-06 | — | — | EP | disclosed |
| US-5843957-A | Naphthyridine derivatives | SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) | 1998-12-01 | — | — | US | disclosed |