Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2996821 | 0.72 | ALDH1A1 (0.36) | ALDH1A1NPC1HSP90AA1KDM4EMAPT | |
| SCHEMBL7085947 | 0.72 | ALDH1A1 (0.36) | ALDH1A1NPC1HSP90AA1KDM4EMAPT | |
| SCHEMBL521935 | 0.71 | NQO2 (0.46) | ALDH1A1NPC1L3MBTL1KDM4EMAPT | |
| SCHEMBL7387228 | 0.71 | CCR1 (0.42) | ALDH1A1NPC1HSP90AA1L3MBTL1KDM4E | |
| SCHEMBL130023 | 0.67 | CYP1A2 (0.55) | ALDH1A1PRMT5KDM4EMAPTATAD2 | |
| SCHEMBL12596682 | 0.67 | ALDH1A1 (0.46) | ALDH1A1NPC1HSP90AA1L3MBTL1PRMT5 | |
| SCHEMBL2519761 | 0.67 | HSP90AA1 (0.41) | ALDH1A1NPC1HSP90AA1L3MBTL1PRMT5 | |
| SCHEMBL1100332 | 0.67 | ALDH1A1 (0.58) | ALDH1A1NPC1HSP90AA1KDM4EMAPT | |
| SCHEMBL8194 | 0.67 | ALDH1A1 (0.67) | ALDH1A1NPC1HSP90AA1KDM4EMAPT | |
| SCHEMBL30099834 | 0.67 | ALDH1A1 (0.67) | ALDH1A1NPC1HSP90AA1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1204663-A1 | NOVEL SPIRO COMPOUNDS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001014376-A1 | NOVEL SPIRO COMPOUNDS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2001-03-01 | — | — | WO | disclosed |