Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MMP1 | P03956 | 4/20 | 0.50 |
| ▸ | MMP2 | P08253 | 4/20 | 0.50 |
| ▸ | MMP9 | P14780 | 4/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782880 | 0.83 | RAB9A (0.51) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL27782887 | 0.83 | EGFR (0.43) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL27761066 | 0.77 | ALDH1A1 (0.64) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL4354878 | 0.76 | MEN1 (0.73) | NPC1RAB9ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL27782781 | 0.76 | CXCR1 (0.54) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL27782898 | 0.74 | NPC1 (0.68) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL19398197 | 0.74 | ALDH1A1 (0.79) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL17664262 | 0.74 | ALDH1A1 (0.84) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL27477146 | 0.73 | ALDH1A1 (0.63) | NPC1ALDH1A1RAB9ALMNAMAPT | |
| SCHEMBL28784047 | 0.73 | ALDH1A1 (0.52) | NPC1ALDH1A1RAB9ALMNAMAPT |
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 |