Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27182526 | 0.82 | GAA (0.58) | ITGB1ITGA4ITGB7ALDH1A1HPGD | |
| SCHEMBL27182591 | 0.81 | GAA (0.60) | ITGB1ITGA4ITGB7GAAMCOLN3 | |
| SCHEMBL27183093 | 0.80 | KMT2A (0.61) | ITGB1ITGA4KMT2AALDH1A1HPGD | |
| SCHEMBL27182598 | 0.77 | GAA (0.55) | ITGB1ITGA4ITGB7KMT2AGAA | |
| SCHEMBL3936342 | 0.73 | GAA (0.53) | ITGB1ITGA4KMT2AALDH1A1HPGD | |
| SCHEMBL18503872 | 0.72 | THRB (0.48) | ALDH1A1HPGDNPSR1GAA | |
| SCHEMBL27182702 | 0.72 | MMP13 (0.53) | — | |
| SCHEMBL16880400 | 0.70 | PHGDH (0.51) | ITGB1ITGA4ITGB7ALDH1A1PHGDH | |
| SCHEMBL2884788 | 0.70 | GAA (0.55) | ITGB1ITGA4ITGB7ALDH1A1HPGD | |
| SCHEMBL219728 | 0.70 | EEF2K (0.55) | ALDH1A1NPSR1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113461597-B | Preparation method of nilaparib intermediate | 天津太平洋化学制药有限公司 | 2023-07-21 | — | — | CN | disclosed |