Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | MAPT | P10636 | 7/20 | 0.68 |
| ▸ | RAB9A | P51151 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 6/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.68 |
| ▸ | LMNA | P02545 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782797 | 0.84 | ALDH1A1 (0.47) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27782907 | 0.84 | NPC1 (0.60) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL17664262 | 0.82 | ALDH1A1 (0.84) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27782782 | 0.80 | MEN1 (0.55) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL4358566 | 0.79 | MEN1 (0.69) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL19398197 | 0.79 | ALDH1A1 (0.79) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27761066 | 0.78 | ALDH1A1 (0.64) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27761075 | 0.77 | ALDH1A1 (0.55) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27941307 | 0.76 | RAB9A (0.73) | NPC1ALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL27761065 | 0.74 | NPC1 (0.58) | NPC1ALDH1A1MAPTRAB9AMEN1 |
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-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |