Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7277887 | 0.78 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL5877657 | 0.78 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL332078 | 0.74 | L3MBTL1 (0.58) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL276503 | 0.74 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL11580166 | 0.74 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL29662176 | 0.74 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL16261346 | 0.74 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL5606000 | 0.74 | CA2 (0.52) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL776666 | 0.73 | TSHR (0.48) | ALDH1A1L3MBTL1MEN1KMT2ACA2 | |
| SCHEMBL4378891 | 0.72 | MEN1 (0.76) | ALDH1A1L3MBTL1MEN1KMT2ACA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | claimed |
| WO-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |