Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Phosphoramidic Acid SCHEMBL5035760 | 0.90 | HIF1A (0.36) | ANPEPERAP2MAPTTSHR | |
| Phosphoramidic Acid SCHEMBL5035761 | 0.90 | — | — | |
| Pyrrolidine SCHEMBL23354581 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2MAPTTSHR | |
| Pyrrolidine SCHEMBL28575035 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2MAPTTSHR | |
| Pyrrolidine SCHEMBL29601650 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2MAPTTSHR | |
| Piperazine SCHEMBL5700791 | 0.87 | HIF1A (0.43) | CXCR4SMN1; SMN2ANPEPERAP2KDM4E | |
| Pyrrolidine SCHEMBL16636111 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2MAPT | |
| Piperazine SCHEMBL29088716 | 0.87 | HIF1A (0.43) | CXCR4SMN1; SMN2ANPEPERAP2KDM4E | |
| Piperidine SCHEMBL5874248 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2MAPTTSHR | |
| Piperidine SCHEMBL1242732 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2MAPTTSHR |
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-101252839-A | Novel 2 '-C-methyl and 4' -C-methyl nucleoside derivatives | MERCK & CO INC (US) | 2008-08-27 | — | — | CN | disclosed |